2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one

C17H24N2O — CID 83244103

IUPAC2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one
SMILESCC1CCCC(N2C(=O)C(c3ccccc3)NC2C)C1
InChIInChI=1S/C17H24N2O/c1-12-7-6-10-15(11-12)19-13(2)18-16(17(19)20)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16,18H,6-7,10-11H2,1-2H3
InChIKeyQTJWSFKIOFUQQC-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.08
Rot. Bonds2

About 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one

2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one (PubChem CID 83244103) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one.

Molecular Properties

Compound Name2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one
PubChem CID83244103
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one
SMILESCC1CCCC(N2C(=O)C(c3ccccc3)NC2C)C1
InChIInChI=1S/C17H24N2O/c1-12-7-6-10-15(11-12)19-13(2)18-16(17(19)20)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16,18H,6-7,10-11H2,1-2H3
InChIKeyQTJWSFKIOFUQQC-UHFFFAOYSA-N
XLogP3.08
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.39
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one?
The IUPAC name of 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one (CID 83244103) is 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one.
What is the SMILES notation for 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one?
The canonical SMILES for 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one is CC1CCCC(N2C(=O)C(c3ccccc3)NC2C)C1.
What is the InChIKey of 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one?
The InChIKey is QTJWSFKIOFUQQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-7-6-10-15(11-12)19-13(2)18-16(17(19)20)14-8-4-3-5-9-14/h3-5,8-9,12-13,15-16,18H,6-7,10-11H2,1-2H3.
What are the key properties of 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one?
2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.08, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(3-methylcyclohexyl)-5-phenylimidazolidin-4-one is sourced from PubChem (CID 83244103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).