2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one

C12H13ClN2O — CID 115282204

IUPAC2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one
SMILESO=C1CNC(c2cccc(Cl)c2)N1C1CC1
InChIInChI=1S/C12H13ClN2O/c13-9-3-1-2-8(6-9)12-14-7-11(16)15(12)10-4-5-10/h1-3,6,10,12,14H,4-5,7H2
InChIKeyBYEXGVCEVFYYAY-UHFFFAOYSA-N
MW236.70 g/mol
LogP1.93
Rot. Bonds2

About 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one

2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one (PubChem CID 115282204) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one
PubChem CID115282204
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one
SMILESO=C1CNC(c2cccc(Cl)c2)N1C1CC1
InChIInChI=1S/C12H13ClN2O/c13-9-3-1-2-8(6-9)12-14-7-11(16)15(12)10-4-5-10/h1-3,6,10,12,14H,4-5,7H2
InChIKeyBYEXGVCEVFYYAY-UHFFFAOYSA-N
XLogP1.93
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83243762
2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one
CID 83245217
2-(3-chlorophenyl)-3-(2-methoxycyclopentyl)imidazolidin-4-one
CID 83252529
2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one
CID 83253191
3-cyclohexyl-2-(3-fluorophenyl)imidazolidin-4-one
CID 83243222
3-cyclohexyl-2-(3-methylphenyl)imidazolidin-4-one
CID 83242271
3-(4-methylcyclohexyl)-2-phenylimidazolidin-4-one
CID 83239821
3-cyclopentyl-2-(3-methoxyphenyl)imidazolidin-4-one
CID 83242750
3-cyclopentyl-2-(3,4-difluorophenyl)imidazolidin-4-one
CID 83241965
2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242756
3-(1,1-dioxothiolan-3-yl)-2-(3-methylphenyl)imidazolidin-4-one
CID 115282314
3-butan-2-yl-2-(3-chlorophenyl)imidazolidin-4-one
CID 83239586

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one (CID 115282204) is 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one is O=C1CNC(c2cccc(Cl)c2)N1C1CC1.
What is the InChIKey of 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one?
The InChIKey is BYEXGVCEVFYYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O/c13-9-3-1-2-8(6-9)12-14-7-11(16)15(12)10-4-5-10/h1-3,6,10,12,14H,4-5,7H2.
What are the key properties of 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one?
2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one has a molecular weight of 236.70 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one is sourced from PubChem (CID 115282204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).