2-butyl-4-pentyl-1,4-dihydroimidazol-5-one

C12H22N2O — CID 70330165

IUPAC2-butyl-4-pentyl-1,4-dihydroimidazol-5-one
SMILESCCCCCC1N=C(CCCC)NC1=O
InChIInChI=1S/C12H22N2O/c1-3-5-7-8-10-12(15)14-11(13-10)9-6-4-2/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyVJMYJZMPUJWAEQ-UHFFFAOYSA-N
MW210.32 g/mol
LogP2.65
Rot. Bonds7

About 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one

2-butyl-4-pentyl-1,4-dihydroimidazol-5-one (PubChem CID 70330165) has the molecular formula C12H22N2O and a molecular weight of 210.32 g/mol. Its IUPAC name is 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-butyl-4-pentyl-1,4-dihydroimidazol-5-one
PubChem CID70330165
Molecular FormulaC12H22N2O
Molecular Weight210.32 g/mol
Exact Mass210.17
IUPAC Name2-butyl-4-pentyl-1,4-dihydroimidazol-5-one
SMILESCCCCCC1N=C(CCCC)NC1=O
InChIInChI=1S/C12H22N2O/c1-3-5-7-8-10-12(15)14-11(13-10)9-6-4-2/h10H,3-9H2,1-2H3,(H,13,14,15)
InChIKeyVJMYJZMPUJWAEQ-UHFFFAOYSA-N
XLogP2.65
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-butyl-4-pentyl-1,4-dihydroimidazol-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 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one (CID 70330165) is 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one is CCCCCC1N=C(CCCC)NC1=O.
What is the InChIKey of 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one?
The InChIKey is VJMYJZMPUJWAEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O/c1-3-5-7-8-10-12(15)14-11(13-10)9-6-4-2/h10H,3-9H2,1-2H3,(H,13,14,15).
What are the key properties of 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one?
2-butyl-4-pentyl-1,4-dihydroimidazol-5-one has a molecular weight of 210.32 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-4-pentyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 70330165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).