3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one

C16H22N2O — CID 107416096

IUPAC3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one
SMILESCC1CCC(CN2C(=O)CNC2c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-12-7-8-13(9-12)11-18-15(19)10-17-16(18)14-5-3-2-4-6-14/h2-6,12-13,16-17H,7-11H2,1H3
InChIKeyUGMIJRSUKRNCOQ-UHFFFAOYSA-N
MW258.37 g/mol
LogP2.55
Rot. Bonds3

About 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one

3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one (PubChem CID 107416096) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one.

Molecular Properties

Compound Name3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one
PubChem CID107416096
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one
SMILESCC1CCC(CN2C(=O)CNC2c2ccccc2)C1
InChIInChI=1S/C16H22N2O/c1-12-7-8-13(9-12)11-18-15(19)10-17-16(18)14-5-3-2-4-6-14/h2-6,12-13,16-17H,7-11H2,1H3
InChIKeyUGMIJRSUKRNCOQ-UHFFFAOYSA-N
XLogP2.55
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one?
The IUPAC name of 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one (CID 107416096) is 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one.
What is the SMILES notation for 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one?
The canonical SMILES for 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one is CC1CCC(CN2C(=O)CNC2c2ccccc2)C1.
What is the InChIKey of 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one?
The InChIKey is UGMIJRSUKRNCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-12-7-8-13(9-12)11-18-15(19)10-17-16(18)14-5-3-2-4-6-14/h2-6,12-13,16-17H,7-11H2,1H3.
What are the key properties of 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one?
3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one has a molecular weight of 258.37 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methylcyclopentyl)methyl]-2-phenylimidazolidin-4-one is sourced from PubChem (CID 107416096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).