5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one

C12H11ClN2O — CID 68839579

IUPAC5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)cn1C1CC1
InChIInChI=1S/C12H11ClN2O/c13-9-3-1-8(2-4-9)11-7-15(10-5-6-10)12(16)14-11/h1-4,7,10H,5-6H2,(H,14,16)
InChIKeyIOZKJUDUKYQZKY-UHFFFAOYSA-N
MW234.69 g/mol
LogP2.83
Rot. Bonds2

About 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one

5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one (PubChem CID 68839579) has the molecular formula C12H11ClN2O and a molecular weight of 234.69 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
PubChem CID68839579
Molecular FormulaC12H11ClN2O
Molecular Weight234.69 g/mol
Exact Mass234.06
IUPAC Name5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one
SMILESO=c1[nH]c(-c2ccc(Cl)cc2)cn1C1CC1
InChIInChI=1S/C12H11ClN2O/c13-9-3-1-8(2-4-9)11-7-15(10-5-6-10)12(16)14-11/h1-4,7,10H,5-6H2,(H,14,16)
InChIKeyIOZKJUDUKYQZKY-UHFFFAOYSA-N
XLogP2.83
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.69
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-phenyl-3-piperidin-4-yl-1H-imidazol-2-one;hydrochloride
CID 67344326
5-(4-methoxyphenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321473
5-(3-chlorophenyl)-3-(1-iodopiperidin-4-yl)-1H-imidazol-2-one
CID 142061485
3-(1-methylpiperidin-1-ium-4-yl)-5-phenyl-1H-imidazol-2-one
CID 143670655
4-[5-(4-methoxyphenyl)-2-oxo-1H-imidazol-3-yl]piperidine-1-carbaldehyde
CID 22945766
5-(4-amino-3,5-dibromophenyl)-3-piperidin-4-yl-1H-imidazol-2-one
CID 18321230
3-(1-ethylpiperidin-4-yl)-5-(3-hydroxyphenyl)-1H-imidazol-2-one
CID 59767849
3-(4-aminocyclohexyl)-6-chloro-1H-benzimidazol-2-one;hydrochloride
CID 118292535
tert-butyl 4-(5-naphthalen-2-yl-2-oxo-1H-imidazol-3-yl)piperidine-1-carboxylate
CID 18321429
2-(4-chlorophenyl)-1H-imidazo[1,2-a]pyridin-7-one
CID 117135490
1-cyclopropyl-2,4-dioxopyrimidine-5-carboxylic acid
CID 55255033
3-(aminomethyl)-6-(4-chlorophenyl)-1H-pyridin-2-one
CID 82519382

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one?
The IUPAC name of 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one (CID 68839579) is 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one.
What is the SMILES notation for 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one?
The canonical SMILES for 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one is O=c1[nH]c(-c2ccc(Cl)cc2)cn1C1CC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one?
The InChIKey is IOZKJUDUKYQZKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O/c13-9-3-1-8(2-4-9)11-7-15(10-5-6-10)12(16)14-11/h1-4,7,10H,5-6H2,(H,14,16).
What are the key properties of 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one?
5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one has a molecular weight of 234.69 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-cyclopropyl-1H-imidazol-2-one is sourced from PubChem (CID 68839579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).