2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide

C9H15N3O — CID 89267792

IUPAC2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide
SMILESCC1N=CC(NC(=O)C(C)(C)C)=N1
InChIInChI=1S/C9H15N3O/c1-6-10-5-7(11-6)12-8(13)9(2,3)4/h5-6H,1-4H3,(H,11,12,13)
InChIKeyHQZIGCCYQQJUBS-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.98
Rot. Bonds

About 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide

2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide (PubChem CID 89267792) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide
PubChem CID89267792
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide
SMILESCC1N=CC(NC(=O)C(C)(C)C)=N1
InChIInChI=1S/C9H15N3O/c1-6-10-5-7(11-6)12-8(13)9(2,3)4/h5-6H,1-4H3,(H,11,12,13)
InChIKeyHQZIGCCYQQJUBS-UHFFFAOYSA-N
XLogP0.98
TPSA53.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide 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 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide (CID 89267792) is 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide is CC1N=CC(NC(=O)C(C)(C)C)=N1.
What is the InChIKey of 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide?
The InChIKey is HQZIGCCYQQJUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-10-5-7(11-6)12-8(13)9(2,3)4/h5-6H,1-4H3,(H,11,12,13).
What are the key properties of 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide?
2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide has a molecular weight of 181.24 g/mol, XLogP of 0.98, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(2-methyl-2H-imidazol-4-yl)propanamide is sourced from PubChem (CID 89267792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).