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

C16H21ClN2O — CID 83244083

IUPAC2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(Cl)cc2)N(CC2CCCC2)C1=O
InChIInChI=1S/C16H21ClN2O/c1-11-16(20)19(10-12-4-2-3-5-12)15(18-11)13-6-8-14(17)9-7-13/h6-9,11-12,15,18H,2-5,10H2,1H3
InChIKeyVJWCTKIPADHXIW-UHFFFAOYSA-N
MW292.81 g/mol
LogP3.35
Rot. Bonds3

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

2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one (PubChem CID 83244083) has the molecular formula C16H21ClN2O and a molecular weight of 292.81 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
PubChem CID83244083
Molecular FormulaC16H21ClN2O
Molecular Weight292.81 g/mol
Exact Mass292.13
IUPAC Name2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
SMILESCC1NC(c2ccc(Cl)cc2)N(CC2CCCC2)C1=O
InChIInChI=1S/C16H21ClN2O/c1-11-16(20)19(10-12-4-2-3-5-12)15(18-11)13-6-8-14(17)9-7-13/h6-9,11-12,15,18H,2-5,10H2,1H3
InChIKeyVJWCTKIPADHXIW-UHFFFAOYSA-N
XLogP3.35
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.81
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one?
The IUPAC name of 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one (CID 83244083) is 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one.
What is the SMILES notation for 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one?
The canonical SMILES for 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one is CC1NC(c2ccc(Cl)cc2)N(CC2CCCC2)C1=O.
What is the InChIKey of 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one?
The InChIKey is VJWCTKIPADHXIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21ClN2O/c1-11-16(20)19(10-12-4-2-3-5-12)15(18-11)13-6-8-14(17)9-7-13/h6-9,11-12,15,18H,2-5,10H2,1H3.
What are the key properties of 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one?
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one has a molecular weight of 292.81 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one is sourced from PubChem (CID 83244083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).