1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C289H273N55O20S2 — CID 158422176

IUPAC1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cc2[nH]ccc2cn1.c1cc2c(cn1)CCCO2.c1cc2c(cn1)CCO2.c1cc2c(cn1)OCC2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)COC2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCO2.c1cnc2cc[nH]c2c1.c1cnn2cccc2c1.c1ncc2c(n1)CCCO2.c1ncc2c(n1)OCCC2.c1nncc2c1CCCO2
InChIInChI=1S/C10H8.2C9H7N.2C9H10O.4C8H9NO.2C8H7N.2C8H8O.C8H6O.6C7H8N2O.8C7H6N2.4C7H7NO.C7H5NO.2C7H5NS.4C6H5N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-4-3-8(7)10-5-1;1-2-7-3-4-9-6-8(7)10-5-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-7(10-3-1)4-8-5-9-6;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*3-4,6H,1-2,5H2;1-7H;1-6,9H;2*1-4H,5-6H2;1-6H;3*3-4H,1-2,5H2;3*4-5H,1-3H2;2*1-5,9H;1-6H;1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);2*1,3,5H,2,4H2;2*1-2,4H,3,5H2;7*1-5H
InChIKeyHAPTYSKXUWUBQS-UHFFFAOYSA-N
MW4900.86 g/mol
LogP56.84
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 158422176) has the molecular formula C289H273N55O20S2 and a molecular weight of 4900.86 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID158422176
Molecular FormulaC289H273N55O20S2
Molecular Weight4900.86 g/mol
Exact Mass4897.15
IUPAC Name1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESc1cc2[nH]ccc2cn1.c1cc2c(cn1)CCCO2.c1cc2c(cn1)CCO2.c1cc2c(cn1)OCC2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)COC2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCO2.c1cnc2cc[nH]c2c1.c1cnn2cccc2c1.c1ncc2c(n1)CCCO2.c1ncc2c(n1)OCCC2.c1nncc2c1CCCO2
InChIInChI=1S/C10H8.2C9H7N.2C9H10O.4C8H9NO.2C8H7N.2C8H8O.C8H6O.6C7H8N2O.8C7H6N2.4C7H7NO.C7H5NO.2C7H5NS.4C6H5N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-4-3-8(7)10-5-1;1-2-7-3-4-9-6-8(7)10-5-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-7(10-3-1)4-8-5-9-6;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*3-4,6H,1-2,5H2;1-7H;1-6,9H;2*1-4H,5-6H2;1-6H;3*3-4H,1-2,5H2;3*4-5H,1-3H2;2*1-5,9H;1-6H;1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);2*1,3,5H,2,4H2;2*1-2,4H,3,5H2;7*1-5H
InChIKeyHAPTYSKXUWUBQS-UHFFFAOYSA-N
XLogP56.84
TPSA862.31 Ų
H-Bond Donors7
H-Bond Acceptors70
Rotatable Bonds
Heavy Atoms366
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004900.86
LogP ≤ 556.84
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1070

Analyze 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Related Compounds

2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1,3-oxazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;2-methyl-1H-imidazole;4-methyl-1H-indazole;1-methylisoquinoline;2-methyl-3-prop-1-enylpyridine;4-methylthieno[2,3-d]pyrimidine;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 157451853
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine;5-(trifluoromethyl)-1H-pyrazole
CID 157712548
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;3,5-dimethylpyridine;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;methane;2-methoxypyridine;3-methoxypyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 157989050
1,3-benzothiazole;1-benzothiophene;6-chloroimidazo[1,2-a]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;5H-imidazo[1,2-b]pyrazole;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1-methyl-5-(trifluoromethyl)pyrazole;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;1H-pyrazolo[5,4-b]pyridine;pyridazine;pyridine;pyrido[4,3-b][1,6]naphthyridine;pyrimidine;1H-pyrrole;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,2,4-triazine;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158082249
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;pyrimidine;1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;bis(thieno[2,3-c]pyridine);thiophene;1,3,5-triazine;5-(trifluoromethyl)-1H-pyrazole
CID 158113572
CID 158592718
CID 158592718
CID 159320113
CID 159320113
CID 159991720
CID 159991720
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-indazole;5-methyl-4H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine
CID 160409071
1-benzofuran;dibenzothiophene;3,5-dimethyl-1,2-oxazole;N,N-dimethylpyrazin-2-amine;3,5-dimethylpyridine;2,4-dimethyl-1,3-thiazole;bis(N-ethyl-N-methyl-1,3-thiazol-2-amine);3-ethylpyridine;2-fluoro-3-methylpyridine;3-fluoro-2-methylpyridine;3-fluoropyridine;4-fluoropyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;1-hydroxypyridin-1-ium;2-(2-methoxyethoxy)pyridine;2-methoxypyridine;4-methoxypyridine;2-methylpyrazine;N-methylpyridin-2-amine;bis(2-methylpyridine);bis(3-methylpyridine);4-methylpyridine;2-methyl-1,3-thiazole;4-methyl-1,3-thiazole;5-methyl-1,3-thiazole;2-methylthiophene;2-piperidin-1-yl-1,3-thiazole;1-propylpyrazole;1H-pyrido[3,4-b][1,4]thiazine;1,2,3,4-tetrahydropyrrolo[1,2-a]pyrimidine;5-(trifluoromethyl)-1H-pyrazole;4-(trifluoromethyl)pyridine
CID 160487232
benzo[b][1,6]naphthyridine;1,3-benzothiazole;1-benzothiophene;5-(1,1-difluoroethyl)-1-methylpyrazole;5-(1,1-difluoroethyl)-1H-pyrazole;1,2-dimethylimidazole;1,4-dimethylimidazole;1,5-dimethylimidazole;1-(3,4-dimethylphenyl)pyrazole;furan;furo[2,3-c]pyridine;imidazo[1,2-a]pyridine;1H-imidazole;1H-indazole;2-methoxypyridine;6-methylimidazo[1,2-a]pyridine;2-methyl-1H-imidazole;bis(1-methylindazole);2-methylpyrimidine;1-methylpyrrolo[2,3-c]pyridine;1,2-oxazole;1,3-oxazole;1-propylpyrazole;pyrazine;1H-pyrazole;pyridazine;pyridine;bis(pyrimidine);1H-pyrrole;5H-pyrrolo[1,2-a]imidazole;1H-pyrrolo[2,3-b]pyridine;bis(1H-pyrrolo[3,2-c]pyridine);1,2-thiazole;1,3-thiazole;thieno[2,3-b]pyridine;thieno[3,2-b]thiophene;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thiophene;1,3,5-triazine;2-(trifluoromethyl)imidazo[1,2-a]pyridine
CID 161043810
2,4-dimethylfuro[3,2-c]pyridine;1,2-dimethylimidazole;1,4-dimethylimidazole;2,5-dimethyl-1H-imidazole;1,4-dimethylindole;2,4-dimethyl-1H-indole;3,5-dimethyl-1,2,4-oxadiazole;2,4-dimethyl-1H-pyrrolo[3,2-c]pyridine;3-ethenyl-2-methylpyridine;5-fluoro-4-methyl-7H-pyrrolo[2,3-d]pyrimidine;1-methylbenzotriazole;4-methylfuro[3,2-c]pyridine;7-methylfuro[2,3-c]pyridine;5-methylimidazo[1,2-c]pyrimidine;2-methyl-1H-imidazole;4-methyl-1H-indole;1-methylisoquinoline;4-(1-methylisoquinolin-3-yl)morpholine;4-methyl-7H-pyrrolo[2,3-d]pyrimidine;4-methylquinazoline;4-(4-methylquinazolin-2-yl)morpholine;4-methylthieno[2,3-d]pyrimidine;4-methyl-2-(trifluoromethyl)-1H-indole;4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 161326481

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 158422176) is 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is c1cc2[nH]ccc2cn1.c1cc2c(cn1)CCCO2.c1cc2c(cn1)CCO2.c1cc2c(cn1)OCC2.c1cc2c(cn1)OCCC2.c1cc2c(nn1)CCCO2.c1cc2c(nn1)OCCC2.c1cc2cc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2c(c1)CCO2.c1ccc2c(c1)CCOC2.c1ccc2c(c1)COC2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2occc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2c(c1)CCCO2.c1cnc2c(c1)CCO2.c1cnc2c(c1)OCC2.c1cnc2c(c1)OCCC2.c1cnc2c(n1)CCCO2.c1cnc2cc[nH]c2c1.c1cnn2cccc2c1.c1ncc2c(n1)CCCO2.c1ncc2c(n1)OCCC2.c1nncc2c1CCCO2.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is HAPTYSKXUWUBQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.2C9H10O.4C8H9NO.2C8H7N.2C8H8O.C8H6O.6C7H8N2O.8C7H6N2.4C7H7NO.C7H5NO.2C7H5NS.4C6H5N3/c1-2-6-10-8-4-3-7-9(10)5-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-2-6-9-8(4-1)5-3-7-10-9;1-2-4-9-7-10-6-5-8(9)3-1;1-4-8-7(9-5-1)3-2-6-10-8;1-3-7-4-2-6-10-8(7)9-5-1;1-2-7-6-9-4-3-8(7)10-5-1;1-2-7-3-4-9-6-8(7)10-5-1;1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;2*1-2-4-8-7(3-1)5-6-9-8;1-2-6-7(10-5-1)9-4-3-8-6;1-2-6-7(10-5-1)3-4-8-9-6;1-2-6-3-4-8-9-7(6)10-5-1;1-2-6-7(10-3-1)4-8-5-9-6;1-2-6-4-8-5-9-7(6)10-3-1;1-2-6-4-8-9-5-7(6)10-3-1;1-4-9-7-2-3-8-5-6(1)7;1-3-8-5-7-6(1)2-4-9-7;1-3-7-4-2-6-9(7)8-5-1;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;1-2-5-9-6-4-8-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-8-5-6-2-4-9-7(1)6;1-3-8-5-7-6(1)2-4-9-7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-4-7-6(3-1)5-8-9-7;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-7-5-9-4-3-8-6(1)9;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;1-4H,5-7H2;1,4-5H,2-3,6H2;1,3,5H,2,4,6H2;2*3-4,6H,1-2,5H2;1-7H;1-6,9H;2*1-4H,5-6H2;1-6H;3*3-4H,1-2,5H2;3*4-5H,1-3H2;2*1-5,9H;1-6H;1-5,9H;1-5H,(H,8,9);1-6H;2*1-5H,(H,8,9);2*1,3,5H,2,4H2;2*1-2,4H,3,5H2;7*1-5H.
What are the key properties of 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4900.86 g/mol, XLogP of 56.84, 0 rotatable bonds, 7 hydrogen bond donors, and 70 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;1,2-benzothiazole;1,3-benzothiazole;1,2-benzoxazole;1,3-dihydro-2-benzofuran;2,3-dihydro-1-benzofuran;3,4-dihydro-2H-chromene;2,3-dihydrofuro[2,3-b]pyridine;2,3-dihydrofuro[3,2-b]pyridine;2,3-dihydrofuro[2,3-c]pyridine;2,3-dihydrofuro[3,2-c]pyridine;3,4-dihydro-1H-isochromene;7,8-dihydro-6H-pyrano[2,3-b]pyrazine;3,4-dihydro-2H-pyrano[2,3-b]pyridine;3,4-dihydro-2H-pyrano[3,2-b]pyridine;6,7-dihydro-5H-pyrano[2,3-c]pyridazine;7,8-dihydro-6H-pyrano[3,2-c]pyridazine;3,4-dihydro-2H-pyrano[2,3-c]pyridine;3,4-dihydro-2H-pyrano[3,2-c]pyridine;3,4-dihydro-2H-pyrano[2,3-d]pyridazine;6,7-dihydro-5H-pyrano[2,3-d]pyrimidine;7,8-dihydro-6H-pyrano[3,2-d]pyrimidine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,2-c]pyrimidine;1H-indazole;1H-indole;indolizine;isoquinoline;naphthalene;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;1H-pyrrolo[3,2-b]pyridine;1H-pyrrolo[2,3-c]pyridine;1H-pyrrolo[3,2-c]pyridine;quinoline;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 158422176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).