2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one

C17H23ClN2O — CID 83248029

IUPAC2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(Cl)c2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C17H23ClN2O/c1-12-17(21)20(11-13-6-3-2-4-7-13)16(19-12)14-8-5-9-15(18)10-14/h5,8-10,12-13,16,19H,2-4,6-7,11H2,1H3
InChIKeyDIZRRVHBWKFQAP-UHFFFAOYSA-N
MW306.84 g/mol
LogP3.74
Rot. Bonds3

About 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one

2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one (PubChem CID 83248029) has the molecular formula C17H23ClN2O and a molecular weight of 306.84 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
PubChem CID83248029
Molecular FormulaC17H23ClN2O
Molecular Weight306.84 g/mol
Exact Mass306.15
IUPAC Name2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2cccc(Cl)c2)N(CC2CCCCC2)C1=O
InChIInChI=1S/C17H23ClN2O/c1-12-17(21)20(11-13-6-3-2-4-7-13)16(19-12)14-8-5-9-15(18)10-14/h5,8-10,12-13,16,19H,2-4,6-7,11H2,1H3
InChIKeyDIZRRVHBWKFQAP-UHFFFAOYSA-N
XLogP3.74
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.84
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one (CID 83248029) is 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one is CC1NC(c2cccc(Cl)c2)N(CC2CCCCC2)C1=O.
What is the InChIKey of 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one?
The InChIKey is DIZRRVHBWKFQAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN2O/c1-12-17(21)20(11-13-6-3-2-4-7-13)16(19-12)14-8-5-9-15(18)10-14/h5,8-10,12-13,16,19H,2-4,6-7,11H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one?
2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one has a molecular weight of 306.84 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-3-(cyclohexylmethyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83248029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).