(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

C20H19N3O — CID 95119122

IUPAC(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1C
InChIInChI=1S/C20H19N3O/c1-13-8-9-15(10-14(13)2)17-11-18(24)22-20-19(17)21-12-23(20)16-6-4-3-5-7-16/h3-10,12,17H,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyVILDJIQFXOBYMV-KRWDZBQOSA-N
MW317.39 g/mol
LogP3.96
Rot. Bonds2

About (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one

(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (PubChem CID 95119122) has the molecular formula C20H19N3O and a molecular weight of 317.39 g/mol. Its IUPAC name is (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.

Molecular Properties

Compound Name(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
PubChem CID95119122
Molecular FormulaC20H19N3O
Molecular Weight317.39 g/mol
Exact Mass317.15
IUPAC Name(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
SMILESCc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1C
InChIInChI=1S/C20H19N3O/c1-13-8-9-15(10-14(13)2)17-11-18(24)22-20-19(17)21-12-23(20)16-6-4-3-5-7-16/h3-10,12,17H,11H2,1-2H3,(H,22,24)/t17-/m0/s1
InChIKeyVILDJIQFXOBYMV-KRWDZBQOSA-N
XLogP3.96
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(7R)-3,7-diphenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046442
(7S)-7-(3,4-difluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51716825
(7R)-7-(3-fluorophenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047660
(7R)-7-(3-hydroxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39047146
(7S)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046577
(7R)-7-(3-methoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39046581
(7S)-7-(4-hydroxy-3,5-dimethoxyphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 39348703
(7S)-7-(3,4-dimethoxyphenyl)-3-(3-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51720187
(7S)-7-(3,4-dimethoxyphenyl)-3-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51802228
3-phenyl-7-(4-prop-2-ynoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42655190
7-(3,4-dimethoxyphenyl)-3-pyridin-3-yl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 42647913
(7S)-3-(3-methoxyphenyl)-7-(4-methoxyphenyl)-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one
CID 51721876

Frequently Asked Questions

What is the IUPAC name of (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The IUPAC name of (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one (CID 95119122) is (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one.
What is the SMILES notation for (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The canonical SMILES for (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is Cc1ccc([C@@H]2CC(=O)Nc3c2ncn3-c2ccccc2)cc1C.
What is the InChIKey of (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
The InChIKey is VILDJIQFXOBYMV-KRWDZBQOSA-N. The full InChI is InChI=1S/C20H19N3O/c1-13-8-9-15(10-14(13)2)17-11-18(24)22-20-19(17)21-12-23(20)16-6-4-3-5-7-16/h3-10,12,17H,11H2,1-2H3,(H,22,24)/t17-/m0/s1.
What are the key properties of (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one?
(7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one has a molecular weight of 317.39 g/mol, XLogP of 3.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7S)-7-(3,4-dimethylphenyl)-3-phenyl-6,7-dihydro-4H-imidazo[4,5-b]pyridin-5-one is sourced from PubChem (CID 95119122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).