3-butyl-5-cyclohexyl-1H-imidazol-2-one

C13H22N2O — CID 18384184

IUPAC3-butyl-5-cyclohexyl-1H-imidazol-2-one
SMILESCCCCn1cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H22N2O/c1-2-3-9-15-10-12(14-13(15)16)11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyOUSQOCHWFVQWNR-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.02
Rot. Bonds4

About 3-butyl-5-cyclohexyl-1H-imidazol-2-one

3-butyl-5-cyclohexyl-1H-imidazol-2-one (PubChem CID 18384184) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-butyl-5-cyclohexyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-butyl-5-cyclohexyl-1H-imidazol-2-one
PubChem CID18384184
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-butyl-5-cyclohexyl-1H-imidazol-2-one
SMILESCCCCn1cc(C2CCCCC2)[nH]c1=O
InChIInChI=1S/C13H22N2O/c1-2-3-9-15-10-12(14-13(15)16)11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H,14,16)
InChIKeyOUSQOCHWFVQWNR-UHFFFAOYSA-N
XLogP3.02
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-butyl-5-cyclohexyl-1H-imidazol-2-one with MolForge

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

Launch Full Analysis

Related Compounds

4-((2,3-Dimethylcyclopent-2-en-1-yl)methyl)-1H-imidazol-2(3H)-one
CID 21986125
4-Hexyl-4-imidazolin-2-one
CID 14572724
1,4-Dibutylimidazol-2-one
CID 15405728
5-butyl-3-(3-methylbutyl)-1H-imidazol-2-one
CID 18384161
5-butyl-3-(2-methylpropyl)-1H-imidazol-2-one
CID 18384252
5-butyl-3-(2-cyclopropylethyl)-1H-imidazol-2-one
CID 18384267
3-butyl-5-(3-methylbutyl)-1H-imidazol-2-one
CID 18384306
3-butyl-5-(2-methylpropyl)-1H-imidazol-2-one
CID 18384319
5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one
CID 18384329
5-(2-methylpropyl)-3-propyl-1H-imidazol-2-one
CID 18384362
5-butyl-3-(2-cyclopentylethyl)-1H-imidazol-2-one
CID 18384390
5-butyl-3-(2-ethylbutyl)-1H-imidazol-2-one
CID 18384398

Frequently Asked Questions

What is the IUPAC name of 3-butyl-5-cyclohexyl-1H-imidazol-2-one?
The IUPAC name of 3-butyl-5-cyclohexyl-1H-imidazol-2-one (CID 18384184) is 3-butyl-5-cyclohexyl-1H-imidazol-2-one.
What is the SMILES notation for 3-butyl-5-cyclohexyl-1H-imidazol-2-one?
The canonical SMILES for 3-butyl-5-cyclohexyl-1H-imidazol-2-one is CCCCn1cc(C2CCCCC2)[nH]c1=O.
What is the InChIKey of 3-butyl-5-cyclohexyl-1H-imidazol-2-one?
The InChIKey is OUSQOCHWFVQWNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-3-9-15-10-12(14-13(15)16)11-7-5-4-6-8-11/h10-11H,2-9H2,1H3,(H,14,16).
What are the key properties of 3-butyl-5-cyclohexyl-1H-imidazol-2-one?
3-butyl-5-cyclohexyl-1H-imidazol-2-one has a molecular weight of 222.33 g/mol, XLogP of 3.02, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-5-cyclohexyl-1H-imidazol-2-one is sourced from PubChem (CID 18384184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).