3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide

C10H16F2N4O — CID 113429156

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1nccn1C(F)F
InChIInChI=1S/C10H16F2N4O/c1-10(2,5-7(13)17)15-6-8-14-3-4-16(8)9(11)12/h3-4,9,15H,5-6H2,1-2H3,(H2,13,17)
InChIKeyQESMIBQIMAZQQU-UHFFFAOYSA-N
MW246.26 g/mol
LogP1.02
Rot. Bonds6

About 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide

3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide (PubChem CID 113429156) has the molecular formula C10H16F2N4O and a molecular weight of 246.26 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide
PubChem CID113429156
Molecular FormulaC10H16F2N4O
Molecular Weight246.26 g/mol
Exact Mass246.13
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide
SMILESCC(C)(CC(N)=O)NCc1nccn1C(F)F
InChIInChI=1S/C10H16F2N4O/c1-10(2,5-7(13)17)15-6-8-14-3-4-16(8)9(11)12/h3-4,9,15H,5-6H2,1-2H3,(H2,13,17)
InChIKeyQESMIBQIMAZQQU-UHFFFAOYSA-N
XLogP1.02
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.26
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-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

2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-2-methylbutanoic acid
CID 79801645
3-methyl-3-(pyrimidin-2-ylmethylamino)butanamide
CID 103529899
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,3-dimethylbutan-1-amine
CID 115641541
(2S)-2-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutan-1-ol
CID 79250495
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-2-(4-fluorophenoxy)-2-methylpropanamide
CID 100664586
2-[1-(difluoromethyl)-3,5-dimethylpyrazol-4-yl]-N-[[1-(difluoromethyl)imidazol-2-yl]methyl]acetamide
CID 71883563
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]-3,5-dimethylaniline
CID 43111999
N-[[1-[[1-(difluoromethyl)imidazol-2-yl]methyl]triazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66192071
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-N-propan-2-ylpropanamide
CID 115641552
4-[[1-(difluoromethyl)imidazol-2-yl]methylamino]butanoic acid
CID 43473335
2-[[1-(difluoromethyl)imidazol-2-yl]methyl-methylamino]-N-(2-methylbutan-2-yl)acetamide
CID 87013837
N-[[1-(difluoromethyl)imidazol-2-yl]methyl]butan-2-amine
CID 43111973

Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide (CID 113429156) is 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide is CC(C)(CC(N)=O)NCc1nccn1C(F)F.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide?
The InChIKey is QESMIBQIMAZQQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16F2N4O/c1-10(2,5-7(13)17)15-6-8-14-3-4-16(8)9(11)12/h3-4,9,15H,5-6H2,1-2H3,(H2,13,17).
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide?
3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide has a molecular weight of 246.26 g/mol, XLogP of 1.02, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methylamino]-3-methylbutanamide is sourced from PubChem (CID 113429156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).