5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one

C13H24N2O — CID 18384329

IUPAC5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CCC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C13H24N2O/c1-5-6-7-11-10-15(12(16)14-11)9-8-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyCHRAQJNFWYLDMW-UHFFFAOYSA-N
MW224.35 g/mol
LogP2.96
Rot. Bonds5

About 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one

5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one (PubChem CID 18384329) has the molecular formula C13H24N2O and a molecular weight of 224.35 g/mol. Its IUPAC name is 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one.

Molecular Properties

Compound Name5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one
PubChem CID18384329
Molecular FormulaC13H24N2O
Molecular Weight224.35 g/mol
Exact Mass224.19
IUPAC Name5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one
SMILESCCCCc1cn(CCC(C)(C)C)c(=O)[nH]1
InChIInChI=1S/C13H24N2O/c1-5-6-7-11-10-15(12(16)14-11)9-8-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16)
InChIKeyCHRAQJNFWYLDMW-UHFFFAOYSA-N
XLogP2.96
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.35
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-butyl-3-(3,3-dimethylbutyl)-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

Frequently Asked Questions

What is the IUPAC name of 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one?
The IUPAC name of 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one (CID 18384329) is 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one.
What is the SMILES notation for 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one?
The canonical SMILES for 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one is CCCCc1cn(CCC(C)(C)C)c(=O)[nH]1.
What is the InChIKey of 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one?
The InChIKey is CHRAQJNFWYLDMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O/c1-5-6-7-11-10-15(12(16)14-11)9-8-13(2,3)4/h10H,5-9H2,1-4H3,(H,14,16).
What are the key properties of 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one?
5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one has a molecular weight of 224.35 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-3-(3,3-dimethylbutyl)-1H-imidazol-2-one is sourced from PubChem (CID 18384329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).