3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one

C17H24N2O — CID 83236888

IUPAC3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCCC2C)c1
InChIInChI=1S/C17H24N2O/c1-12-6-5-8-14(10-12)17-18-11-16(20)19(17)15-9-4-3-7-13(15)2/h5-6,8,10,13,15,17-18H,3-4,7,9,11H2,1-2H3
InChIKeyHOBXVTIQDBLKMX-UHFFFAOYSA-N
MW272.39 g/mol
LogP3.00
Rot. Bonds2

About 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one

3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one (PubChem CID 83236888) has the molecular formula C17H24N2O and a molecular weight of 272.39 g/mol. Its IUPAC name is 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
PubChem CID83236888
Molecular FormulaC17H24N2O
Molecular Weight272.39 g/mol
Exact Mass272.19
IUPAC Name3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one
SMILESCc1cccc(C2NCC(=O)N2C2CCCCC2C)c1
InChIInChI=1S/C17H24N2O/c1-12-6-5-8-14(10-12)17-18-11-16(20)19(17)15-9-4-3-7-13(15)2/h5-6,8,10,13,15,17-18H,3-4,7,9,11H2,1-2H3
InChIKeyHOBXVTIQDBLKMX-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one (CID 83236888) is 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one is Cc1cccc(C2NCC(=O)N2C2CCCCC2C)c1.
What is the InChIKey of 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one?
The InChIKey is HOBXVTIQDBLKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O/c1-12-6-5-8-14(10-12)17-18-11-16(20)19(17)15-9-4-3-7-13(15)2/h5-6,8,10,13,15,17-18H,3-4,7,9,11H2,1-2H3.
What are the key properties of 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one?
3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one has a molecular weight of 272.39 g/mol, XLogP of 3.00, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylcyclohexyl)-2-(3-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83236888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).