1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline

C96H81N23O2 — CID 158152797

IUPAC1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline
SMILESc1cc2cncn2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1cnc2[nH]ncc2c1.c1cnc2cn[nH]c2c1.c1cnn2cncc2c1
InChIInChI=1S/C10H8.2C9H7N.C9H10O.4C7H6N2.C7H5NO.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;1-2-5-9-6-4-8-7(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;1-2-7-4-9-5-8-3-6(1)9;1-2-6-4-7-5-9(6)8-3-1;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;2*1-6H;2*1-5H,(H,8,9);3*1-5H;1-4H,(H,8,9);1-4H,(H,7,8,9)
InChIKeyFVIAXHHDVHQNGZ-UHFFFAOYSA-N
MW1588.86 g/mol
LogP20.32
Rot. Bonds

About 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline

1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline (PubChem CID 158152797) has the molecular formula C96H81N23O2 and a molecular weight of 1588.86 g/mol. Its IUPAC name is 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline.

Molecular Properties

Compound Name1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline
PubChem CID158152797
Molecular FormulaC96H81N23O2
Molecular Weight1588.86 g/mol
Exact Mass1587.69
IUPAC Name1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline
SMILESc1cc2cncn2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1cnc2[nH]ncc2c1.c1cnc2cn[nH]c2c1.c1cnn2cncc2c1
InChIInChI=1S/C10H8.2C9H7N.C9H10O.4C7H6N2.C7H5NO.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;1-2-5-9-6-4-8-7(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;1-2-7-4-9-5-8-3-6(1)9;1-2-6-4-7-5-9(6)8-3-1;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;2*1-6H;2*1-5H,(H,8,9);3*1-5H;1-4H,(H,8,9);1-4H,(H,7,8,9)
InChIKeyFVIAXHHDVHQNGZ-UHFFFAOYSA-N
XLogP20.32
TPSA296.52 Ų
H-Bond Donors4
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms121
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001588.86
LogP ≤ 520.32
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1021

Analyze 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline with MolForge

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Related Compounds

4-tert-butyl-2H-benzotriazole;3-tert-butyl-1,2-benzoxazole;3-tert-butyl-4-fluoro-2H-indazole;3-tert-butyl-5-fluoro-2H-indazole;3-tert-butyl-6-fluoro-2H-indazole;4-tert-butyl-5-fluoro-1-methylpyrrolo[2,3-b]pyridine;4-tert-butyl-3-fluoro-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-fluoro-1H-pyrrolo[2,3-b]pyridine;3-tert-butyl-2H-indazole;4-tert-butyl-1-methylbenzimidazole;3-tert-butyl-2-methylindazole;4-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;5-tert-butyl-1-methylpyrrolo[2,3-b]pyridine;3-tert-butyl-1H-pyrrolo[2,3-b]pyridine;5-tert-butyl-1H-pyrrolo[2,3-b]pyridine;6-tert-butyl-1H-pyrrolo[2,3-b]pyridine;4-tert-butyl-5-(trifluoromethyl)-1H-pyrrolo[2,3-b]pyridine;2-methyl-6-propan-2-yl-1,3-benzoxazole
CID 158251202
1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;1-[3-(2,1,3-benzoxadiazol-5-yl)-1H-indazol-5-yl]-2-[(3S,5R)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]ethanone;2-[(3S,5S)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-(3-imidazo[1,2-a]pyridin-6-yl-1H-isoindol-5-yl)ethanone;2-[(3R,5R)-5-(1,1-difluoroethyl)-1-[(2-fluoro-6-methoxyphenyl)methyl]piperidin-3-yl]-1-[3-(2-methylindazol-5-yl)-1H-isoindol-5-yl]ethanone;2-[(3S,5S)-1-[(2-fluoro-6-methoxyphenyl)methyl]-5-methylpiperidin-3-yl]-1-[3-([1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-isoindol-5-yl]ethanone
CID 159356126
N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-5-fluoro-2H-pyrazolo[3,4-b]pyridin-3-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyrazin-3-amine;3-(3,3-dimethylbutyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-pentan-3-yl-N-(2H-pyrazolo[3,4-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 161331815
3-(diethylaminomethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-3-(pyrazol-1-ylmethyl)-1,2-benzoxazol-6-amine
CID 161751314
3-(cyclohexylmethyl)-N-(2H-pyrazolo[3,4-b]pyrazin-3-yl)-1,2-benzoxazol-6-amine;3-(cyclohexylmethyl)-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-1H-pyrazolo[4,3-b]pyridin-3-amine;N-[3-(1,1-difluoroethyl)-1-benzofuran-6-yl]-2H-pyrazolo[3,4-b]pyridin-3-amine;3-ethyl-N-(1H-pyrazolo[4,3-b]pyridin-3-yl)-1,2-benzoxazol-6-amine
CID 161777529
1,3-dimethyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline;2,8-dimethyl-3,4-dihydro-1H-isoquinoline;1,2-dimethyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine;1,5-dimethyl-6,7-dihydro-4H-pyrrolo[3,2-c]pyridine;2,5-dimethyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;6-fluoro-2-methyl-3,4-dihydro-1H-isoquinoline;3-(2-methoxyethyl)-1-methyl-2,3-dihydroindole;7-methoxy-2-methyl-3,4-dihydro-1H-isoquinoline;5-methyl-4,6-dihydro-1H-pyrrolo[3,4-c]pyrrole;7-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;methyl 5-fluoro-1-methyl-2,3-dihydroindole-3-carboxylate;5-methyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine;5-methyl-1,4,6,7-tetrahydropyrazolo[4,5-c]pyridine;5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridine;2,3,3-trimethyl-1,4-dihydroisoquinoline;1,4,4-trimethyl-2,3-dihydroquinoline
CID 161827750
3,5-diethyl-4-propan-2-yl-1,2-oxazole;4-(3,5-diethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;3-(3,5-dimethyl-4-propan-2-ylpyrazol-1-yl)pyridine;2-ethyl-3-propan-2-yl-1H-indole;2-methoxy-4-propan-2-ylquinoline;3-methyl-5-phenyl-4-propan-2-yl-1,2-oxazole;4-methyl-8-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-1,8-naphthyridine;4-methyl-8-propan-2-yl-2,3-dihydropyrido[3,2-b][1,4]oxazine;1-methyl-5-propan-2-yl-3,4-dihydro-2H-quinoline;2-methyl-3-propan-2-ylimidazo[1,2-a]pyridine;1-methyl-3-propan-2-yl-3H-indol-2-one;1-propan-2-ylbenzimidazol-2-amine;3-propan-2-yl-1,3-dihydroindol-2-one;3-propan-2-yl-1H-indole-2-carbonitrile;4-propan-2-ylisoquinoline;5-propan-2-yl-1,2,3,4-tetrahydro-1,8-naphthyridine;4-propan-2-yl-5,6,7,8-tetrahydroquinoline;3-propan-2-yl-2-(trifluoromethyl)-1H-indole
CID 161903488
5-fluoro-N-[[2-fluoro-4-[2-[1-[[7-[3-fluoro-4-[[(5-methyl-1H-pyrazolo[5,4-b]pyridin-3-yl)amino]methyl]phenyl]-2-(1-methylpyrazol-4-yl)-1H-imidazo[4,5-b]pyridin-5-yl]methyl]pyrazol-4-yl]-1H-imidazo[4,5-b]pyridin-7-yl]phenyl]methyl]-1,2-benzoxazol-3-amine
CID 171803391
3-[3-(1H-benzimidazol-2-yl)-6-(1H-pyrazol-3-yl)-4-pyrimidin-2-yl-8-(1H-pyrrol-2-yl)-1-quinolin-2-yl-7-(1H-tetrazol-5-yl)isoquinolin-5-yl]-1,2-oxazole
CID 141064053
3-[4-(1H-benzimidazol-2-yl)-5-(1H-indazol-3-yl)-6-pyridin-2-yl-1-quinolin-2-yl-7-(1,2,3,4-tetrahydronaphthalen-1-yl)isoquinolin-3-yl]-1,2-benzoxazole
CID 141151178
3-[2-(1-benzofuran-2-yl)-3-(2,1,3-benzoxadiazol-4-yl)-6-(1H-imidazol-2-yl)-4-(1H-indazol-3-yl)phenyl]-1H-benzimidazol-2-one
CID 141220961
6-(1H-indazol-3-yl)-7-indolizin-1-yl-3-isoquinolin-1-yl-2-phthalazin-1-yl-5-(7H-purin-2-yl)-4-(4H-quinolizin-1-yl)-1-(9H-xanthen-9-yl)-2H-1,8-naphthyridine
CID 141266583

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline?
The IUPAC name of 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline (CID 158152797) is 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline.
What is the SMILES notation for 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline?
The canonical SMILES for 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline is c1cc2cncn2cn1.c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2c(c1)CCCO2.c1ccc2ccccc2c1.c1ccc2cnccc2c1.c1ccc2ncccc2c1.c1ccc2oncc2c1.c1ccn2ccnc2c1.c1ccn2cncc2c1.c1cnc2[nH]ncc2c1.c1cnc2cn[nH]c2c1.c1cnn2cncc2c1.
What is the InChIKey of 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline?
The InChIKey is FVIAXHHDVHQNGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8.2C9H7N.C9H10O.4C7H6N2.C7H5NO.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;1-2-5-9-6-4-8-7(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;1-2-7-4-9-5-8-3-6(1)9;1-2-6-4-7-5-9(6)8-3-1;1-2-5-6(7-3-1)4-8-9-5;1-2-5-4-8-9-6(5)7-3-1/h1-8H;2*1-7H;1-2,4,6H,3,5,7H2;2*1-6H;2*1-5H,(H,8,9);3*1-5H;1-4H,(H,8,9);1-4H,(H,7,8,9).
What are the key properties of 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline?
1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline has a molecular weight of 1588.86 g/mol, XLogP of 20.32, 0 rotatable bonds, 4 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,2-benzoxazole;3,4-dihydro-2H-chromene;imidazo[1,2-a]pyridine;imidazo[1,5-a]pyridine;imidazo[1,5-b]pyridazine;imidazo[1,5-c]pyrimidine;1H-indazole;isoquinoline;naphthalene;1H-pyrazolo[4,5-b]pyridine;1H-pyrazolo[5,4-b]pyridine;quinoline is sourced from PubChem (CID 158152797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).