3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one

C18H26N2O — CID 83247608

IUPAC3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC1CCCCC1C
InChIInChI=1S/C18H26N2O/c1-13-7-3-5-9-15(13)12-20-17(21)11-19-18(20)16-10-6-4-8-14(16)2/h4,6,8,10,13,15,18-19H,3,5,7,9,11-12H2,1-2H3
InChIKeyIRQGLMNWOIKWHN-UHFFFAOYSA-N
MW286.42 g/mol
LogP3.25
Rot. Bonds3

About 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one

3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one (PubChem CID 83247608) has the molecular formula C18H26N2O and a molecular weight of 286.42 g/mol. Its IUPAC name is 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
PubChem CID83247608
Molecular FormulaC18H26N2O
Molecular Weight286.42 g/mol
Exact Mass286.20
IUPAC Name3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one
SMILESCc1ccccc1C1NCC(=O)N1CC1CCCCC1C
InChIInChI=1S/C18H26N2O/c1-13-7-3-5-9-15(13)12-20-17(21)11-19-18(20)16-10-6-4-8-14(16)2/h4,6,8,10,13,15,18-19H,3,5,7,9,11-12H2,1-2H3
InChIKeyIRQGLMNWOIKWHN-UHFFFAOYSA-N
XLogP3.25
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.42
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
The IUPAC name of 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one (CID 83247608) is 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one.
What is the SMILES notation for 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
The canonical SMILES for 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one is Cc1ccccc1C1NCC(=O)N1CC1CCCCC1C.
What is the InChIKey of 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
The InChIKey is IRQGLMNWOIKWHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O/c1-13-7-3-5-9-15(13)12-20-17(21)11-19-18(20)16-10-6-4-8-14(16)2/h4,6,8,10,13,15,18-19H,3,5,7,9,11-12H2,1-2H3.
What are the key properties of 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one?
3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one has a molecular weight of 286.42 g/mol, XLogP of 3.25, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methylcyclohexyl)methyl]-2-(2-methylphenyl)imidazolidin-4-one is sourced from PubChem (CID 83247608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).