3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide

C9H15N3O — CID 70045793

IUPAC3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide
SMILESCc1[nH]cnc1C(C)(C)CC(N)=O
InChIInChI=1S/C9H15N3O/c1-6-8(12-5-11-6)9(2,3)4-7(10)13/h5H,4H2,1-3H3,(H2,10,13)(H,11,12)
InChIKeyVIMMOOOUPCONLI-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.87
Rot. Bonds3

About 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide

3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide (PubChem CID 70045793) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide.

Molecular Properties

Compound Name3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide
PubChem CID70045793
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide
SMILESCc1[nH]cnc1C(C)(C)CC(N)=O
InChIInChI=1S/C9H15N3O/c1-6-8(12-5-11-6)9(2,3)4-7(10)13/h5H,4H2,1-3H3,(H2,10,13)(H,11,12)
InChIKeyVIMMOOOUPCONLI-UHFFFAOYSA-N
XLogP0.87
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide 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 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide?
The IUPAC name of 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide (CID 70045793) is 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide.
What is the SMILES notation for 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide?
The canonical SMILES for 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide is Cc1[nH]cnc1C(C)(C)CC(N)=O.
What is the InChIKey of 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide?
The InChIKey is VIMMOOOUPCONLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6-8(12-5-11-6)9(2,3)4-7(10)13/h5H,4H2,1-3H3,(H2,10,13)(H,11,12).
What are the key properties of 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide?
3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide has a molecular weight of 181.24 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide is sourced from PubChem (CID 70045793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).