2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one

C17H23ClN2O — CID 83245217

IUPAC2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one
SMILESCC1CCCC(N2C(=O)CNC2c2cccc(Cl)c2)C1C
InChIInChI=1S/C17H23ClN2O/c1-11-5-3-8-15(12(11)2)20-16(21)10-19-17(20)13-6-4-7-14(18)9-13/h4,6-7,9,11-12,15,17,19H,3,5,8,10H2,1-2H3
InChIKeyMROLNKNVLRXHJA-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.60
Rot. Bonds2

About 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one

2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one (PubChem CID 83245217) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one
PubChem CID83245217
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one
SMILESCC1CCCC(N2C(=O)CNC2c2cccc(Cl)c2)C1C
InChIInChI=1S/C17H23ClN2O/c1-11-5-3-8-15(12(11)2)20-16(21)10-19-17(20)13-6-4-7-14(18)9-13/h4,6-7,9,11-12,15,17,19H,3,5,8,10H2,1-2H3
InChIKeyMROLNKNVLRXHJA-UHFFFAOYSA-N
XLogP3.60
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-chlorophenyl)-3-(2-methoxycyclopentyl)imidazolidin-4-one
CID 83252529
2-(3-chlorophenyl)-3-(3-methylcyclohexyl)imidazolidin-4-one
CID 83243762
2-(3-chlorophenyl)-3-cyclopropylimidazolidin-4-one
CID 115282204
3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
CID 83236888
3-(2,3-dimethylcyclohexyl)-2-(2-fluorophenyl)imidazolidin-4-one
CID 83245229
5-(3-chlorophenyl)-6-(2-methylcyclopentyl)-4,6-diazaspiro[2.4]heptan-7-one
CID 83264030
3-(2,3-dimethylcyclopentyl)-2-(4-methylphenyl)imidazolidin-4-one
CID 83259159
2-(3-chlorophenyl)-5-ethyl-3-(2-methylcyclopentyl)imidazolidin-4-one
CID 83264033
2-(3-chlorophenyl)-3-(dicyclopropylmethyl)imidazolidin-4-one
CID 83253191
2-(4-ethylphenyl)-3-(2-methylcyclohexyl)imidazolidin-4-one
CID 83237227
2-(3-chlorophenyl)-3-pentan-3-ylimidazolidin-4-one
CID 83242756
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-(2,3-dimethylcyclohexyl)imidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one (CID 83245217) is 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one is CC1CCCC(N2C(=O)CNC2c2cccc(Cl)c2)C1C.
What is the InChIKey of 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one?
The InChIKey is MROLNKNVLRXHJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-11-5-3-8-15(12(11)2)20-16(21)10-19-17(20)13-6-4-7-14(18)9-13/h4,6-7,9,11-12,15,17,19H,3,5,8,10H2,1-2H3.
What are the key properties of 2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one?
2-(3-chlorophenyl)-3-(2,3-dimethylcyclohexyl)imidazolidin-4-one has a molecular weight of 306.84 g/mol, XLogP of 3.60, 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-(2,3-dimethylcyclohexyl)imidazolidin-4-one is sourced from PubChem (CID 83245217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).