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

C7H12N2O — CID 10909654

IUPAC2-butyl-1,4-dihydroimidazol-5-one
SMILESCCCCC1=NCC(=O)N1
InChIInChI=1S/C7H12N2O/c1-2-3-4-6-8-5-7(10)9-6/h2-5H2,1H3,(H,8,9,10)
InChIKeyBNNOTXZTUYAFBL-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.70
Rot. Bonds3

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

2-butyl-1,4-dihydroimidazol-5-one (PubChem CID 10909654) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-butyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-butyl-1,4-dihydroimidazol-5-one
PubChem CID10909654
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-butyl-1,4-dihydroimidazol-5-one
SMILESCCCCC1=NCC(=O)N1
InChIInChI=1S/C7H12N2O/c1-2-3-4-6-8-5-7(10)9-6/h2-5H2,1H3,(H,8,9,10)
InChIKeyBNNOTXZTUYAFBL-UHFFFAOYSA-N
XLogP0.70
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-butyl-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-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-butyl-1,4-dihydroimidazol-5-one (CID 10909654) is 2-butyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-butyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-butyl-1,4-dihydroimidazol-5-one is CCCCC1=NCC(=O)N1.
What is the InChIKey of 2-butyl-1,4-dihydroimidazol-5-one?
The InChIKey is BNNOTXZTUYAFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-2-3-4-6-8-5-7(10)9-6/h2-5H2,1H3,(H,8,9,10).
What are the key properties of 2-butyl-1,4-dihydroimidazol-5-one?
2-butyl-1,4-dihydroimidazol-5-one has a molecular weight of 140.19 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 10909654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).