1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

C46H38N16O — CID 157340329

IUPAC1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ocnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1
InChIInChI=1S/3C7H6N2.C7H5NO.3C6H5N3/c1-2-5-9-6-4-8-7(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;1-2-4-7-6(3-1)8-5-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9/h1-6H;2*1-5H,(H,8,9);4*1-5H
InChIKeyBGHYVSGVWPOUJG-UHFFFAOYSA-N
MW830.92 g/mol
LogP8.48
Rot. Bonds

About 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine

1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (PubChem CID 157340329) has the molecular formula C46H38N16O and a molecular weight of 830.92 g/mol. Its IUPAC name is 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.

Molecular Properties

Compound Name1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
PubChem CID157340329
Molecular FormulaC46H38N16O
Molecular Weight830.92 g/mol
Exact Mass830.34
IUPAC Name1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine
SMILESc1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ocnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1
InChIInChI=1S/3C7H6N2.C7H5NO.3C6H5N3/c1-2-5-9-6-4-8-7(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;1-2-4-7-6(3-1)8-5-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9/h1-6H;2*1-5H,(H,8,9);4*1-5H
InChIKeyBGHYVSGVWPOUJG-UHFFFAOYSA-N
XLogP8.48
TPSA191.26 Ų
H-Bond Donors2
H-Bond Acceptors15
Rotatable Bonds
Heavy Atoms63
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500830.92
LogP ≤ 58.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1015

Analyze 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[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-[1-(5,7-difluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethanamine
CID 70833093
2-[1-(7-fluoro-1,3-benzoxazol-2-yl)pyrrolidin-3-yl]-2-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]ethanamine
CID 90969305
N-[5-[4-fluoro-7-[4-[2-[4-fluoro-5-[5-(pyrrolidin-1-ylmethyl)-3-pyridinyl]-1H-pyrazolo[3,4-c]pyridin-3-yl]-1H-benzimidazol-4-yl]furan-2-yl]-3-[4-(furan-3-yl)-1H-benzimidazol-2-yl]-1H-pyrazolo[5,4-c]pyridin-5-yl]-3-pyridinyl]benzamide
CID 145032836
1,5-di(propan-2-yl)benzotriazole;2-fluoro-4-propan-2-ylpyridine;3-fluoro-4-propan-2-ylpyridine;2-methoxy-3-propan-2-ylpyridine;2-methoxy-4-propan-2-ylpyridine;3-methoxy-4-propan-2-ylpyridine;3-methoxy-5-propan-2-ylpyridine;6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzoxazole;5-propan-2-yl-1H-indazole;5-propan-2-yl-1H-indole;4-propan-2-yl-1H-pyrazole;5-propan-2-yl-1H-pyrazole;4-propan-2-ylpyridazine;3-propan-2-ylpyridine;4-propan-2-yl-1H-pyridin-2-one;5-propan-2-ylpyrimidine;3-propan-2-yl-1H-pyrrole;4-propan-2-yl-2H-triazole;1-propan-2-yl-2-(trifluoromethyl)benzene
CID 158433120
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
1H-benzimidazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1,3-benzoxazol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(2,6-dimethylimidazo[1,2-b]pyridazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;imidazo[1,2-b]pyridazin-6-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-imidazo[4,5-b]pyridin-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;1H-indol-2-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(5-piperidin-1-yl-1H-pyrrolo[3,2-b]pyridin-2-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 159543739
5-(4-amino-1-propan-2-ylpyrazolo[3,4-d]pyrimidin-3-yl)-1,3-benzoxazol-2-amine;N-[5-[(4-ethylpiperazin-1-yl)methyl]-2-pyridinyl]-5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)pyrimidin-2-amine
CID 172640920
N-[4-[4-amino-1-[1-[(5-methyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylpyrrolo[2,3-c]pyridine-2-carboxamide
CID 22346987
N-[4-[4-amino-1-[1-(1H-imidazol-5-ylmethyl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]-1-methylindole-2-carboxamide
CID 22347005
N2-[4-(4-amino-1-{1-[(2-methyl-1H-4-imidazolyl)methyl]-4-piperidyl}-1H-pyrazolo[3,4-d]pyrimidin-3-yl)-2-methoxyphenyl]-1-methyl-1H-2-indolecarboxamide
CID 22347366
N-[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]-1,3-benzoxazol-5-amine
CID 46239369
2-[3-methyl-3-[1-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]propyl]pyrrolidin-1-yl]-1,3-benzoxazole
CID 59589040

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The IUPAC name of 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine (CID 157340329) is 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine.
What is the SMILES notation for 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The canonical SMILES for 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is c1ccc2[nH]cnc2c1.c1ccc2[nH]ncc2c1.c1ccc2ocnc2c1.c1ccn2ccnc2c1.c1ccn2cnnc2c1.c1ccn2ncnc2c1.c1cn2ccnc2cn1.
What is the InChIKey of 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
The InChIKey is BGHYVSGVWPOUJG-UHFFFAOYSA-N. The full InChI is InChI=1S/3C7H6N2.C7H5NO.3C6H5N3/c1-2-5-9-6-4-8-7(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;1-2-4-7-6(3-1)8-5-9-7;1-3-9-4-2-8-6(9)5-7-1;1-2-4-9-5-7-8-6(9)3-1;1-2-4-9-6(3-1)7-5-8-9/h1-6H;2*1-5H,(H,8,9);4*1-5H.
What are the key properties of 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine?
1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine has a molecular weight of 830.92 g/mol, XLogP of 8.48, 0 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazole;1,3-benzoxazole;imidazo[1,2-a]pyrazine;imidazo[1,2-a]pyridine;1H-indazole;[1,2,4]triazolo[1,5-a]pyridine;[1,2,4]triazolo[4,3-a]pyridine is sourced from PubChem (CID 157340329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).