1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine

C26H27N3O — CID 23025801

IUPAC1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2CC2CCCCC2)c1
InChIInChI=1S/C26H27N3O/c1-30-23-14-8-13-21(15-23)26-28-25-24(29(26)18-19-9-4-2-5-10-19)16-22(17-27-25)20-11-6-3-7-12-20/h3,6-8,11-17,19H,2,4-5,9-10,18H2,1H3
InChIKeySTKCXAMDBKOENL-UHFFFAOYSA-N
MW397.52 g/mol
LogP6.35
Rot. Bonds5

About 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine

1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine (PubChem CID 23025801) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
PubChem CID23025801
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine
SMILESCOc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2CC2CCCCC2)c1
InChIInChI=1S/C26H27N3O/c1-30-23-14-8-13-21(15-23)26-28-25-24(29(26)18-19-9-4-2-5-10-19)16-22(17-27-25)20-11-6-3-7-12-20/h3,6-8,11-17,19H,2,4-5,9-10,18H2,1H3
InChIKeySTKCXAMDBKOENL-UHFFFAOYSA-N
XLogP6.35
TPSA39.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 56.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-1-(3-phenoxypropyl)-6-phenylimidazo[4,5-b]pyridine
CID 23026037
2-[2-[[2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridin-1-yl]methyl]phenyl]acetic acid
CID 91421360
2-(3-methoxyphenyl)-6-phenyl-1-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[4,5-b]pyridine
CID 23025908
2-(3-methoxyphenyl)-3,5-diphenylpyridine
CID 57041799
ethyl 4-[6-[1-(cyclohexylmethyl)benzimidazol-2-yl]naphthalen-2-yl]oxybutanoate
CID 151784782
3-[3-(cyclopentylmethyl)-2-(4-phenylmethoxyphenyl)benzimidazol-5-yl]oxy-N,N-diethylaniline
CID 68683760
2-(3-methoxyphenyl)-1-(3-naphthalen-2-yloxypropyl)benzimidazole
CID 17001765
N-cyclohexyl-2-[[5-(3-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-methylacetamide
CID 42974444
1-(cyclohexylmethyl)-5,6-difluoro-2-[2-[(4-methoxyphenyl)methoxy]-3-pyridinyl]benzimidazole
CID 67049968
1-benzyl-N-(cyclohexylmethyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[4,5-b]pyridin-2-amine
CID 121375835
2-(3-butoxyphenyl)-6-(furan-2-yl)-1-methylimidazo[4,5-b]pyridine
CID 23025780
4-[1-(cyclobutylmethyl)-2-methylimidazo[4,5-b]pyridin-6-yl]-3,5-dimethyl-1,2-oxazole
CID 121375947

Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine (CID 23025801) is 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine is COc1cccc(-c2nc3ncc(-c4ccccc4)cc3n2CC2CCCCC2)c1.
What is the InChIKey of 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
The InChIKey is STKCXAMDBKOENL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-30-23-14-8-13-21(15-23)26-28-25-24(29(26)18-19-9-4-2-5-10-19)16-22(17-27-25)20-11-6-3-7-12-20/h3,6-8,11-17,19H,2,4-5,9-10,18H2,1H3.
What are the key properties of 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine?
1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine has a molecular weight of 397.52 g/mol, XLogP of 6.35, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)-2-(3-methoxyphenyl)-6-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 23025801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).