1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine

C336H261N69O14S13 — CID 160594777

IUPAC1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.c1cc2c[nH]cc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2cocc2cn1.c1cc2cscc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2c1.c1cnc2c[nH]cc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2cocc2c1.c1cnc2cscc2c1.c1cnc2nocc2c1.c1cnc2occc2c1.c1cnc2oncc2c1.c1cnc2sccc2c1.c1cnc2sncc2c1.c1cnn2cccc2c1.c1ncc2c[nH]cc2n1.c1ncc2cocc2n1.c1ncc2cscc2n1
InChIInChI=1S/4C8H7N.2C8H6O.2C8H6S.14C7H6N2.9C7H5NO.9C7H5NS.3C6H5N3.3C6H4N2O.2C6H4N2S/c1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-8-4-7-5-9-3-6(1)7;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-7(6)9-3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*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;1-2-8-3-7-5-9-4-6(1)7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;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;1-2-8-3-7-5-9-4-6(1)7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-5-2-8-4-9-6(5)3-7-1;2*1-2-5-4-8-9-6(5)7-3-1;1-5-2-9-3-6(5)8-4-7-1;1-2-5-4-9-8-6(5)7-3-1;1-2-5-4-8-9-6(5)7-3-1;1-5-2-9-3-6(5)8-4-7-1;1-2-5-4-8-9-6(5)7-3-1/h1-2,4-6H,3H2;1,3-6H,2H2;2*1-6,9H;4*1-6H;1-5,9H;2*1-6H;1-5,9H;2*1-6H;1-5H,(H,8,9);1-5,8H;3*1-6H;3*1-5H,(H,8,9);18*1-5H;1-4,7H;2*1-4H,(H,7,8,9);5*1-4H
InChIKeyRDMGNHQFVPMMQX-UHFFFAOYSA-N
MW5906.12 g/mol
LogP85.63
Rot. Bonds

About 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine

1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine (PubChem CID 160594777) has the molecular formula C336H261N69O14S13 and a molecular weight of 5906.12 g/mol. Its IUPAC name is 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine.

Molecular Properties

Compound Name1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine
PubChem CID160594777
Molecular FormulaC336H261N69O14S13
Molecular Weight5906.12 g/mol
Exact Mass5900.82
IUPAC Name1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine
SMILESC1=Cc2cnccc2C1.C1=Cc2ncccc2C1.c1cc2c[nH]cc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2cocc2cn1.c1cc2cscc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2c1.c1cnc2c[nH]cc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2cocc2c1.c1cnc2cscc2c1.c1cnc2nocc2c1.c1cnc2occc2c1.c1cnc2oncc2c1.c1cnc2sccc2c1.c1cnc2sncc2c1.c1cnn2cccc2c1.c1ncc2c[nH]cc2n1.c1ncc2cocc2n1.c1ncc2cscc2n1
InChIInChI=1S/4C8H7N.2C8H6O.2C8H6S.14C7H6N2.9C7H5NO.9C7H5NS.3C6H5N3.3C6H4N2O.2C6H4N2S/c1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-8-4-7-5-9-3-6(1)7;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-7(6)9-3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*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;1-2-8-3-7-5-9-4-6(1)7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;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;1-2-8-3-7-5-9-4-6(1)7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-5-2-8-4-9-6(5)3-7-1;2*1-2-5-4-8-9-6(5)7-3-1;1-5-2-9-3-6(5)8-4-7-1;1-2-5-4-9-8-6(5)7-3-1;1-2-5-4-8-9-6(5)7-3-1;1-5-2-9-3-6(5)8-4-7-1;1-2-5-4-8-9-6(5)7-3-1/h1-2,4-6H,3H2;1,3-6H,2H2;2*1-6,9H;4*1-6H;1-5,9H;2*1-6H;1-5,9H;2*1-6H;1-5H,(H,8,9);1-5,8H;3*1-6H;3*1-5H,(H,8,9);18*1-5H;1-4,7H;2*1-4H,(H,7,8,9);5*1-4H
InChIKeyRDMGNHQFVPMMQX-UHFFFAOYSA-N
XLogP85.63
TPSA1048.81 Ų
H-Bond Donors12
H-Bond Acceptors84
Rotatable Bonds
Heavy Atoms432
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5005906.12
LogP ≤ 585.63
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1084

Analyze 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine?
The IUPAC name of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine (CID 160594777) is 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine.
What is the SMILES notation for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine?
The canonical SMILES for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine is C1=Cc2cnccc2C1.C1=Cc2ncccc2C1.c1cc2c[nH]cc2cn1.c1cc2cc[nH]c2cn1.c1cc2ccncn2c1.c1cc2ccoc2cn1.c1cc2ccsc2cn1.c1cc2cnccn2c1.c1cc2cocc2cn1.c1cc2cscc2cn1.c1cc2occc2cn1.c1cc2sccc2cn1.c1ccc2[nH]ccc2c1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2cocc2c1.c1ccc2cscc2c1.c1ccc2nocc2c1.c1ccc2nscc2c1.c1ccc2occc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2sccc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2nccc2c1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2[nH]ncc2c1.c1cnc2c[nH]cc2c1.c1cnc2cccn2c1.c1cnc2ccoc2c1.c1cnc2ccsc2c1.c1cnc2cocc2c1.c1cnc2cscc2c1.c1cnc2nocc2c1.c1cnc2occc2c1.c1cnc2oncc2c1.c1cnc2sccc2c1.c1cnc2sncc2c1.c1cnn2cccc2c1.c1ncc2c[nH]cc2n1.c1ncc2cocc2n1.c1ncc2cscc2n1.
What is the InChIKey of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine?
The InChIKey is RDMGNHQFVPMMQX-UHFFFAOYSA-N. The full InChI is InChI=1S/4C8H7N.2C8H6O.2C8H6S.14C7H6N2.9C7H5NO.9C7H5NS.3C6H5N3.3C6H4N2O.2C6H4N2S/c1-3-7-4-2-6-9-8(7)5-1;1-2-7-4-5-9-6-8(7)3-1;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-2-4-8-6-9-5-7(8)3-1;1-2-4-8-7(3-1)5-6-9-8;1-3-8-5-7-6(1)2-4-9-7;1-3-7-8-4-2-6-9(7)5-1;1-3-7-4-2-6-9(7)8-5-1;1-2-8-4-7-5-9-3-6(1)7;1-2-7-3-4-8-6-9(7)5-1;1-2-7-6-8-3-5-9(7)4-1;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-8-5-7(6)9-3-1;1-2-6-9-7(3-1)4-5-8-9;1-2-5-9-6-4-8-7(9)3-1;1-2-4-9-6-8-5-7(9)3-1;1-2-4-7-6(3-1)8-5-9-7;2*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;1-2-8-3-7-5-9-4-6(1)7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;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;1-2-8-3-7-5-9-4-6(1)7;1-2-7-6(8-4-1)3-5-9-7;1-2-6-3-5-9-7(6)8-4-1;1-2-6-4-9-5-7(6)8-3-1;1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-9-8-7;1-2-4-7-6(3-1)5-8-9-7;1-5-2-8-4-9-6(5)3-7-1;2*1-2-5-4-8-9-6(5)7-3-1;1-5-2-9-3-6(5)8-4-7-1;1-2-5-4-9-8-6(5)7-3-1;1-2-5-4-8-9-6(5)7-3-1;1-5-2-9-3-6(5)8-4-7-1;1-2-5-4-8-9-6(5)7-3-1/h1-2,4-6H,3H2;1,3-6H,2H2;2*1-6,9H;4*1-6H;1-5,9H;2*1-6H;1-5,9H;2*1-6H;1-5H,(H,8,9);1-5,8H;3*1-6H;3*1-5H,(H,8,9);18*1-5H;1-4,7H;2*1-4H,(H,7,8,9);5*1-4H.
What are the key properties of 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine?
1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine has a molecular weight of 5906.12 g/mol, XLogP of 85.63, 0 rotatable bonds, 12 hydrogen bond donors, and 84 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1-benzofuran;2-benzofuran;1,2-benzothiazole;1,3-benzothiazole;2,1-benzothiazole;1-benzothiophene;2-benzothiophene;1,2-benzoxazole;1,3-benzoxazole;2,1-benzoxazole;5H-cyclopenta[b]pyridine;5H-cyclopenta[c]pyridine;furo[2,3-b]pyridine;furo[3,2-b]pyridine;furo[3,4-b]pyridine;furo[2,3-c]pyridine;furo[3,2-c]pyridine;furo[3,4-c]pyridine;furo[3,4-d]pyrimidine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;bis(1H-indazole);1H-indole;2H-isoindole;[1,2]oxazolo[3,4-b]pyridine;[1,2]oxazolo[5,4-b]pyridine;pyrazolo[1,5-a]pyridine;bis(1H-pyrazolo[5,4-b]pyridine);pyrrolo[1,2-a]pyrazine;pyrrolo[1,2-a]pyrimidine;pyrrolo[1,2-b]pyridazine;1H-pyrrolo[2,3-b]pyridine;6H-pyrrolo[3,4-b]pyridine;1H-pyrrolo[2,3-c]pyridine;2H-pyrrolo[3,4-c]pyridine;pyrrolo[1,2-c]pyrimidine;6H-pyrrolo[3,4-d]pyrimidine;[1,2]thiazolo[5,4-b]pyridine;thieno[2,3-b]pyridine;thieno[3,2-b]pyridine;thieno[3,4-b]pyridine;thieno[2,3-c]pyridine;thieno[3,2-c]pyridine;thieno[3,4-c]pyridine;thieno[3,4-d]pyrimidine is sourced from PubChem (CID 160594777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).