3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one

C23H22N4O3 — CID 135553292

IUPAC3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C)c2nc(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)[nH]c2c1
InChIInChI=1S/C23H22N4O3/c1-13-10-16(14(2)28)11-18-21(13)27-22(26-18)20-17(8-9-24-23(20)30)25-12-19(29)15-6-4-3-5-7-15/h3-11,19,29H,12H2,1-2H3,(H,26,27)(H2,24,25,30)
InChIKeyOTAJDDCYWLDFTE-UHFFFAOYSA-N
MW402.45 g/mol
LogP3.57
Rot. Bonds6

About 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one

3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one (PubChem CID 135553292) has the molecular formula C23H22N4O3 and a molecular weight of 402.45 g/mol. Its IUPAC name is 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one
PubChem CID135553292
Molecular FormulaC23H22N4O3
Molecular Weight402.45 g/mol
Exact Mass402.17
IUPAC Name3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one
SMILESCC(=O)c1cc(C)c2nc(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)[nH]c2c1
InChIInChI=1S/C23H22N4O3/c1-13-10-16(14(2)28)11-18-21(13)27-22(26-18)20-17(8-9-24-23(20)30)25-12-19(29)15-6-4-3-5-7-15/h3-11,19,29H,12H2,1-2H3,(H,26,27)(H2,24,25,30)
InChIKeyOTAJDDCYWLDFTE-UHFFFAOYSA-N
XLogP3.57
TPSA110.87 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.45
LogP ≤ 53.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-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

N'-amino-2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazole-5-carboximidamide
CID 136655043
2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N',7-dimethyl-3H-benzimidazole-5-carboximidamide
CID 135681730
N-[2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazol-5-yl]acetamide
CID 135681594
4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[6-(hydroxymethyl)-4-methyl-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 135681603
4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-[4-methyl-6-(piperazine-1-carbonyl)-1H-benzimidazol-2-yl]-1H-pyridin-2-one
CID 135681563
2-[4-[[2-(3-chloro-4-methoxyphenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-N',7-dimethyl-3H-benzimidazole-5-carboximidamide
CID 135681852
2-[4-[[2-hydroxy-2-[3-(iodomethyl)phenyl]ethyl]amino]-2-oxo-1H-pyridin-3-yl]-N,N',7-trimethyl-3H-benzimidazole-5-carboximidamide
CID 136595939
4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-3-(4-methyl-6-pyridin-3-yl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135681601
tert-butyl 4-[2-[4-[[2-(3-chlorophenyl)-2-hydroxyethyl]amino]-2-oxo-1H-pyridin-3-yl]-7-methyl-3H-benzimidazole-5-carbonyl]piperazine-1-carboxylate
CID 135553465
3-cyano-N-[2-[4-[[(2S)-2-hydroxy-2-phenylethyl]amino]-2-oxo-1H-pyridin-3-yl]-1H-benzimidazol-4-yl]benzamide
CID 135954728
4-[[2-(3-bromo-4-methylphenyl)-2-hydroxyethyl]amino]-3-(6-isocyano-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135553400
4-[[2-hydroxy-2-(3-hydroxyphenyl)ethyl]amino]-3-(6-imidazol-1-yl-4-methyl-1H-benzimidazol-2-yl)-1H-pyridin-2-one
CID 135530495

Frequently Asked Questions

What is the IUPAC name of 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one?
The IUPAC name of 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one (CID 135553292) is 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one.
What is the SMILES notation for 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one?
The canonical SMILES for 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one is CC(=O)c1cc(C)c2nc(-c3c(NCC(O)c4ccccc4)cc[nH]c3=O)[nH]c2c1.
What is the InChIKey of 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one?
The InChIKey is OTAJDDCYWLDFTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3/c1-13-10-16(14(2)28)11-18-21(13)27-22(26-18)20-17(8-9-24-23(20)30)25-12-19(29)15-6-4-3-5-7-15/h3-11,19,29H,12H2,1-2H3,(H,26,27)(H2,24,25,30).
What are the key properties of 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one?
3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one has a molecular weight of 402.45 g/mol, XLogP of 3.57, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-acetyl-4-methyl-1H-benzimidazol-2-yl)-4-[(2-hydroxy-2-phenylethyl)amino]-1H-pyridin-2-one is sourced from PubChem (CID 135553292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).