3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one

C12H13ClN2O2 — CID 91265163

IUPAC3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)c1[nH]c(=O)n(-c2cccc(Cl)c2)c1O
InChIInChI=1S/C12H13ClN2O2/c1-7(2)10-11(16)15(12(17)14-10)9-5-3-4-8(13)6-9/h3-7,16H,1-2H3,(H,14,17)
InChIKeyRVZJKQRVIXACGN-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.65
Rot. Bonds2

About 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one

3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one (PubChem CID 91265163) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one
PubChem CID91265163
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one
SMILESCC(C)c1[nH]c(=O)n(-c2cccc(Cl)c2)c1O
InChIInChI=1S/C12H13ClN2O2/c1-7(2)10-11(16)15(12(17)14-10)9-5-3-4-8(13)6-9/h3-7,16H,1-2H3,(H,14,17)
InChIKeyRVZJKQRVIXACGN-UHFFFAOYSA-N
XLogP2.65
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-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

1-(3-chlorophenyl)-5-ethyl-6-hydroxypyrimidine-2,4-dione
CID 112598234
3-(3-chlorophenyl)-7-hydroxy-1H-benzimidazol-2-one
CID 117206820
3-(3-chlorophenyl)-5-methyl-1H-benzimidazol-2-one
CID 117208339
3-(3-chlorophenyl)-2,4-dioxo-1H-quinazoline-7-carboxylic acid
CID 16774187
1-(3-chlorophenyl)-6-hydroxy-2-sulfanylidenepyrimidin-4-one
CID 1225074
1-(3-chlorophenyl)-6-hydroxy-5-[(3S)-2-methyl-3-(4-propan-2-ylphenyl)-3,4-dihydropyrazol-5-yl]pyrimidine-2,4-dione
CID 136805227
6-bromo-3-(3-chlorophenyl)-1H-quinazoline-2,4-dione
CID 1344529
1-(3-chlorophenyl)-6-hydroxy-5-[(2-methylphenyl)iminomethyl]pyrimidine-2,4-dione
CID 4583946
3-(3-chlorophenyl)-6-fluoro-1H-benzimidazol-2-one
CID 110491173
1-(3-chlorophenyl)-5-[(4-fluorophenyl)iminomethyl]-6-hydroxypyrimidine-2,4-dione
CID 1379781
1,3-bis(3-chlorophenyl)-4-(4-chlorophenyl)-5-hydroxyimidazol-2-one
CID 91936514
3-(3-chlorophenyl)-1H-naphtho[3,2-e]benzimidazole-2,6,11-trione
CID 14008641

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one?
The IUPAC name of 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one (CID 91265163) is 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one?
The canonical SMILES for 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one is CC(C)c1[nH]c(=O)n(-c2cccc(Cl)c2)c1O.
What is the InChIKey of 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one?
The InChIKey is RVZJKQRVIXACGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-7(2)10-11(16)15(12(17)14-10)9-5-3-4-8(13)6-9/h3-7,16H,1-2H3,(H,14,17).
What are the key properties of 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one?
3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one has a molecular weight of 252.70 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-4-hydroxy-5-propan-2-yl-1H-imidazol-2-one is sourced from PubChem (CID 91265163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).