3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one

C16H22N2O — CID 83243189

IUPAC3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-11-7-9-13(10-8-11)15-17-12(2)16(19)18(15)14-5-3-4-6-14/h7-10,12,14-15,17H,3-6H2,1-2H3
InChIKeyBSQPZEFWELQHSD-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.76
Rot. Bonds2

About 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one

3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one (PubChem CID 83243189) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
PubChem CID83243189
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
SMILESCc1ccc(C2NC(C)C(=O)N2C2CCCC2)cc1
InChIInChI=1S/C16H22N2O/c1-11-7-9-13(10-8-11)15-17-12(2)16(19)18(15)14-5-3-4-6-14/h7-10,12,14-15,17H,3-6H2,1-2H3
InChIKeyBSQPZEFWELQHSD-UHFFFAOYSA-N
XLogP2.76
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one (CID 83243189) is 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one is Cc1ccc(C2NC(C)C(=O)N2C2CCCC2)cc1.
What is the InChIKey of 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
The InChIKey is BSQPZEFWELQHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-11-7-9-13(10-8-11)15-17-12(2)16(19)18(15)14-5-3-4-6-14/h7-10,12,14-15,17H,3-6H2,1-2H3.
What are the key properties of 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one?
3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one has a molecular weight of 258.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopentyl-5-methyl-2-(4-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83243189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).