4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one

C12H20N2O — CID 106953392

IUPAC4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one
SMILESCC1CCC(C2=NC(C)(C)C(=O)N2)CC1
InChIInChI=1S/C12H20N2O/c1-8-4-6-9(7-5-8)10-13-11(15)12(2,3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyJIVGYJBWPORKRP-UHFFFAOYSA-N
MW208.30 g/mol
LogP2.12
Rot. Bonds1

About 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one

4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one (PubChem CID 106953392) has the molecular formula C12H20N2O and a molecular weight of 208.30 g/mol. Its IUPAC name is 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one
PubChem CID106953392
Molecular FormulaC12H20N2O
Molecular Weight208.30 g/mol
Exact Mass208.16
IUPAC Name4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one
SMILESCC1CCC(C2=NC(C)(C)C(=O)N2)CC1
InChIInChI=1S/C12H20N2O/c1-8-4-6-9(7-5-8)10-13-11(15)12(2,3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14,15)
InChIKeyJIVGYJBWPORKRP-UHFFFAOYSA-N
XLogP2.12
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one (CID 106953392) is 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one is CC1CCC(C2=NC(C)(C)C(=O)N2)CC1.
What is the InChIKey of 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one?
The InChIKey is JIVGYJBWPORKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O/c1-8-4-6-9(7-5-8)10-13-11(15)12(2,3)14-10/h8-9H,4-7H2,1-3H3,(H,13,14,15).
What are the key properties of 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one?
4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one has a molecular weight of 208.30 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-dimethyl-2-(4-methylcyclohexyl)-1H-imidazol-5-one is sourced from PubChem (CID 106953392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).