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

C17H17ClN2O — CID 83267520

IUPAC5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)C(Cc2ccccc2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-20-16(13-7-9-14(18)10-8-13)19-15(17(20)21)11-12-5-3-2-4-6-12/h2-10,15-16,19H,11H2,1H3
InChIKeyJVSWZOLJGXXQNI-UHFFFAOYSA-N
MW300.79 g/mol
LogP3.01
Rot. Bonds3

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

5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one (PubChem CID 83267520) has the molecular formula C17H17ClN2O and a molecular weight of 300.79 g/mol. Its IUPAC name is 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one
PubChem CID83267520
Molecular FormulaC17H17ClN2O
Molecular Weight300.79 g/mol
Exact Mass300.10
IUPAC Name5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one
SMILESCN1C(=O)C(Cc2ccccc2)NC1c1ccc(Cl)cc1
InChIInChI=1S/C17H17ClN2O/c1-20-16(13-7-9-14(18)10-8-13)19-15(17(20)21)11-12-5-3-2-4-6-12/h2-10,15-16,19H,11H2,1H3
InChIKeyJVSWZOLJGXXQNI-UHFFFAOYSA-N
XLogP3.01
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.79
LogP ≤ 53.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one?
The IUPAC name of 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one (CID 83267520) is 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one.
What is the SMILES notation for 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one?
The canonical SMILES for 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one is CN1C(=O)C(Cc2ccccc2)NC1c1ccc(Cl)cc1.
What is the InChIKey of 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one?
The InChIKey is JVSWZOLJGXXQNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClN2O/c1-20-16(13-7-9-14(18)10-8-13)19-15(17(20)21)11-12-5-3-2-4-6-12/h2-10,15-16,19H,11H2,1H3.
What are the key properties of 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one?
5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one has a molecular weight of 300.79 g/mol, XLogP of 3.01, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2-(4-chlorophenyl)-3-methylimidazolidin-4-one is sourced from PubChem (CID 83267520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).