4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide

C11H19N3O — CID 54003789

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C11H19N3O/c1-4-12-11(15)6-5-7-14-8-13-9(2)10(14)3/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyFBWNNODSDIRELL-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.42
Rot. Bonds5

About 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide

4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide (PubChem CID 54003789) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide
PubChem CID54003789
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide
SMILESCCNC(=O)CCCn1cnc(C)c1C
InChIInChI=1S/C11H19N3O/c1-4-12-11(15)6-5-7-14-8-13-9(2)10(14)3/h8H,4-7H2,1-3H3,(H,12,15)
InChIKeyFBWNNODSDIRELL-UHFFFAOYSA-N
XLogP1.42
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide 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-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide (CID 54003789) is 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide is CCNC(=O)CCCn1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide?
The InChIKey is FBWNNODSDIRELL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-4-12-11(15)6-5-7-14-8-13-9(2)10(14)3/h8H,4-7H2,1-3H3,(H,12,15).
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide?
4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide has a molecular weight of 209.29 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethylimidazol-1-yl)-N-ethylbutanamide is sourced from PubChem (CID 54003789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).