1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C225H207N73O3S4 — CID 157115459

IUPAC1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=NC2=C(C1)CNCC2.C1=NCC2=C1CCNC2.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnn2cccc2c1.c1n[nH]c2c1CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c(s1)CCCC2.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C8H7N.C7H10N2.3C7H6N2.C7H10N2.7C7H6N2.2C7H5NO.C7H9NS.2C7H5NS.C7H9N.C6H5N3.2C6H9N3.8C6H5N3.C6H4N2O.C6H4N2S.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*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;1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;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;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;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-5-4-8-9-6(1)5;3*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-6,9H;4,8H,1-3,5H2;2*1-5,9H;1-6H;3,8H,1-2,4-5H2;1-5,9H;1-5H,(H,8,9);3*1-6H;2*1-5H,(H,8,9);2*1-5H;5H,1-4H2;2*1-5H;1,3,5H,2,4,6H2;1-5H;2*4,7H,1-3H2,(H,8,9);2*1-4H,(H,8,9);1-5H;2*1-4H,(H,7,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9)
InChIKeyAHIPCJIDKYCRSV-UHFFFAOYSA-N
MW4109.91 g/mol
LogP42.68
Rot. Bonds

About 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157115459) has the molecular formula C225H207N73O3S4 and a molecular weight of 4109.91 g/mol. Its IUPAC name is 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157115459
Molecular FormulaC225H207N73O3S4
Molecular Weight4109.91 g/mol
Exact Mass4106.72
IUPAC Name1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESC1=NC2=C(C1)CNCC2.C1=NCC2=C1CCNC2.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnn2cccc2c1.c1n[nH]c2c1CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c(s1)CCCC2.c1ncc2[nH]cnc2n1
InChIInChI=1S/2C8H7N.C7H10N2.3C7H6N2.C7H10N2.7C7H6N2.2C7H5NO.C7H9NS.2C7H5NS.C7H9N.C6H5N3.2C6H9N3.8C6H5N3.C6H4N2O.C6H4N2S.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*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;1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;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;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;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-5-4-8-9-6(1)5;3*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-6,9H;4,8H,1-3,5H2;2*1-5,9H;1-6H;3,8H,1-2,4-5H2;1-5,9H;1-5H,(H,8,9);3*1-6H;2*1-5H,(H,8,9);2*1-5H;5H,1-4H2;2*1-5H;1,3,5H,2,4,6H2;1-5H;2*4,7H,1-3H2,(H,8,9);2*1-4H,(H,8,9);1-5H;2*1-4H,(H,7,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9)
InChIKeyAHIPCJIDKYCRSV-UHFFFAOYSA-N
XLogP42.68
TPSA935.11 Ų
H-Bond Donors19
H-Bond Acceptors65
Rotatable Bonds
Heavy Atoms305
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004109.91
LogP ≤ 542.68
H-Bond Donors ≤ 519
H-Bond Acceptors ≤ 1065

Analyze 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 157115459) is 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is C1=NC2=C(C1)CNCC2.C1=NCC2=C1CCNC2.c1cc2[nH]ccc2cn1.c1cc2cc[nH]c2cn1.c1cc2n(c1)CCC2.c1cc2nc[nH]c2cn1.c1cc2nc[nH]c2cn1.c1cc2nccn2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c[nH]cc2c1.c1ccc2n[nH]nc2c1.c1ccc2nonc2c1.c1ccc2nsnc2c1.c1ccc2ocnc2c1.c1ccc2oncc2c1.c1ccc2scnc2c1.c1ccc2sncc2c1.c1ccn2cccc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1ccn2cnnc2c1.c1ccn2nccc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.c1cnc2[nH]ccc2c1.c1cnc2[nH]ncc2c1.c1cnc2cc[nH]c2c1.c1cnc2nc[nH]c2c1.c1cnn2cccc2c1.c1n[nH]c2c1CNCC2.c1nc2c([nH]1)CNCC2.c1nc2c(s1)CCCC2.c1ncc2[nH]cnc2n1.
What is the InChIKey of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is AHIPCJIDKYCRSV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H7N.C7H10N2.3C7H6N2.C7H10N2.7C7H6N2.2C7H5NO.C7H9NS.2C7H5NS.C7H9N.C6H5N3.2C6H9N3.8C6H5N3.C6H4N2O.C6H4N2S.C5H4N4/c1-2-6-9-7-3-5-8(9)4-1;1-2-4-8-6-9-5-7(8)3-1;2*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;1-2-8-4-7-5-9-3-6(1)7;1-2-6-7(8-4-1)3-5-9-6;1-2-6-3-5-9-7(6)8-4-1;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;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;2*1-2-4-7-6(3-1)8-5-9-7;1-2-4-7-6(3-1)5-8-9-7;1-3-7-4-2-6-8(7)5-1;1-3-9-4-2-8-6(9)5-7-1;1-2-7-3-5-4-8-9-6(1)5;3*1-2-7-3-6-5(1)8-4-9-6;1-2-7-5-9-4-3-8-6(1)9;1-2-5-6(7-3-1)9-4-8-5;1-2-5-4-8-9-6(5)7-3-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9;3*1-2-4-6-5(3-1)7-9-8-6;1-4-5(8-2-6-1)9-3-7-4/h1-7H;1-6,9H;4,8H,1-3,5H2;2*1-5,9H;1-6H;3,8H,1-2,4-5H2;1-5,9H;1-5H,(H,8,9);3*1-6H;2*1-5H,(H,8,9);2*1-5H;5H,1-4H2;2*1-5H;1,3,5H,2,4,6H2;1-5H;2*4,7H,1-3H2,(H,8,9);2*1-4H,(H,8,9);1-5H;2*1-4H,(H,7,8,9);2*1-5H;1-4H,(H,7,8,9);2*1-4H;1-3H,(H,6,7,8,9).
What are the key properties of 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 4109.91 g/mol, XLogP of 42.68, 0 rotatable bonds, 19 hydrogen bond donors, and 65 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;2,1,3-benzothiadiazole;1,2-benzothiazole;1,3-benzothiazole;2H-benzotriazole;2,1,3-benzoxadiazole;1,2-benzoxazole;1,3-benzoxazole;2,3-dihydro-1H-pyrrolizine;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;1H-imidazo[4,5-b]pyridine;bis(3H-imidazo[4,5-c]pyridine);imidazo[1,2-c]pyrimidine;1H-indazole;indolizine;2H-isoindole;7H-purine;pyrazolo[1,5-a]pyridine;1H-pyrazolo[5,4-b]pyridine;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;4,5,6,7-tetrahydro-1,3-benzothiazole;4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridine;4,5,6,7-tetrahydro-1H-pyrazolo[4,5-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,2-c]pyridine;4,5,6,7-tetrahydro-3H-pyrrolo[3,4-c]pyridine;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157115459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).