4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide

C12H21N3O — CID 57286965

IUPAC4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)CCn1cnc(C)c1C
InChIInChI=1S/C12H21N3O/c1-5-13-12(16)9(2)6-7-15-8-14-10(3)11(15)4/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyYSRQKIBZYNBZPO-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.66
Rot. Bonds5

About 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide

4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide (PubChem CID 57286965) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide.

Molecular Properties

Compound Name4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide
PubChem CID57286965
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide
SMILESCCNC(=O)C(C)CCn1cnc(C)c1C
InChIInChI=1S/C12H21N3O/c1-5-13-12(16)9(2)6-7-15-8-14-10(3)11(15)4/h8-9H,5-7H2,1-4H3,(H,13,16)
InChIKeyYSRQKIBZYNBZPO-UHFFFAOYSA-N
XLogP1.66
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide 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

N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-methylpropanamide
CID 124048746
(2S)-2-acetamido-N-[2-(4,5-dimethylimidazol-1-yl)ethyl]pentanamide
CID 100066644
2,3-dimethyl-N-[2-(3-methylimidazol-4-yl)ethyl]butanamide
CID 121515344
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-3-methylbutanamide
CID 124048738
2-methyl-1-[(3S)-3-[(1,4,5-trimethylimidazol-2-yl)methylamino]piperidin-1-yl]propan-1-one
CID 164633411
2-(4,5-dimethylimidazol-1-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 115616733
4-(4,5-dimethylimidazol-1-yl)-N,N-dipropylbutanamide
CID 19964902
2-(4,5-dimethylimidazol-1-yl)-N,N-dipropylacetamide
CID 19964980
3-(4,5-dimethylimidazol-1-yl)-N,N-dipropylpropanamide
CID 19964982
1-t-Butylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224503
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-aminomethylimidazole
CID 21224543
1-t-Butylmethylaminocarbonylmethyl-4-methyl-5-azidomethylimidazole
CID 21224553

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide?
The IUPAC name of 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide (CID 57286965) is 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide.
What is the SMILES notation for 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide?
The canonical SMILES for 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide is CCNC(=O)C(C)CCn1cnc(C)c1C.
What is the InChIKey of 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide?
The InChIKey is YSRQKIBZYNBZPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-5-13-12(16)9(2)6-7-15-8-14-10(3)11(15)4/h8-9H,5-7H2,1-4H3,(H,13,16).
What are the key properties of 4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide?
4-(4,5-dimethylimidazol-1-yl)-N-ethyl-2-methylbutanamide has a molecular weight of 223.32 g/mol, XLogP of 1.66, 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-ethyl-2-methylbutanamide is sourced from PubChem (CID 57286965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).