5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one

C20H23N3O — CID 122549756

IUPAC5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCCc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(CC3CC3)c2c1
InChIInChI=1S/C20H23N3O/c1-4-14-7-8-17-18(10-14)23(11-15-5-6-15)19(21-17)16-9-13(2)20(24)22(3)12-16/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyUFVJNEZKAYUEAV-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.68
Rot. Bonds4

About 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one

5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one (PubChem CID 122549756) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one.

Molecular Properties

Compound Name5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
PubChem CID122549756
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one
SMILESCCc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(CC3CC3)c2c1
InChIInChI=1S/C20H23N3O/c1-4-14-7-8-17-18(10-14)23(11-15-5-6-15)19(21-17)16-9-13(2)20(24)22(3)12-16/h7-10,12,15H,4-6,11H2,1-3H3
InChIKeyUFVJNEZKAYUEAV-UHFFFAOYSA-N
XLogP3.68
TPSA39.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-[[6-(aminomethyl)-2-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-1-yl]methyl]piperidine-1-carbaldehyde
CID 139566782
5-[1-[(1-acetylpiperidin-3-yl)methyl]-6-(hydroxymethyl)benzimidazol-2-yl]-1,3-dimethylpyridin-2-one
CID 122538726
tert-butyl (2S,3R)-2-[[3-(cyclopropylmethyl)-2-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-5-yl]methylamino]-3-hydroxybutanoate
CID 134248261
propan-2-yl 2-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]methylamino]-3-hydroxybutanoate
CID 134248160
5-(1-ethylbenzimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 142740590
2-[[3-[[(3R)-1-acetylpiperidin-3-yl]methyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-5-yl]methylamino]-3-hydroxybutanoic acid
CID 134248576
2-[3-[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]pentylamino]acetic acid
CID 138642286
(2S,3R)-2-[[3-[[(3R)-1-acetylpiperidin-3-yl]methyl]-2-(1,5-dimethyl-6-oxo-3-pyridinyl)benzimidazol-5-yl]methylamino]-3-hydroxybutanoyl chloride
CID 146314971
tert-butyl (2S,3R)-2-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-[[(3S)-oxolan-3-yl]methyl]benzimidazol-5-yl]methylamino]-3-hydroxybutanoate
CID 140843607
2-methylpropyl (2S)-2-[[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(oxolan-2-ylmethyl)benzimidazol-5-yl]methylamino]butanoate
CID 138642509
2-[2-[2-(1,5-dimethyl-6-oxo-3-pyridinyl)-3-(oxan-4-ylmethyl)benzimidazol-5-yl]oxyethylamino]propanoic acid
CID 134248443
5-[3-(cyclopropylmethyl)-7-ethylsulfonyl-2-methylbenzimidazol-5-yl]-1,3-dimethylpyridin-2-one
CID 122623748

Frequently Asked Questions

What is the IUPAC name of 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The IUPAC name of 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one (CID 122549756) is 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one.
What is the SMILES notation for 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The canonical SMILES for 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one is CCc1ccc2nc(-c3cc(C)c(=O)n(C)c3)n(CC3CC3)c2c1.
What is the InChIKey of 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
The InChIKey is UFVJNEZKAYUEAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-4-14-7-8-17-18(10-14)23(11-15-5-6-15)19(21-17)16-9-13(2)20(24)22(3)12-16/h7-10,12,15H,4-6,11H2,1-3H3.
What are the key properties of 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one?
5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one has a molecular weight of 321.42 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(cyclopropylmethyl)-6-ethylbenzimidazol-2-yl]-1,3-dimethylpyridin-2-one is sourced from PubChem (CID 122549756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).