4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide

C9H12F3N3O — CID 175864489

IUPAC4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide
SMILESCc1ncc(NC(=O)CC(C)C(F)(F)F)[nH]1
InChIInChI=1S/C9H12F3N3O/c1-5(9(10,11)12)3-8(16)15-7-4-13-6(2)14-7/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGNEFCPGQJPKTFL-UHFFFAOYSA-N
MW235.21 g/mol
LogP2.25
Rot. Bonds3

About 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide

4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide (PubChem CID 175864489) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide
PubChem CID175864489
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide
SMILESCc1ncc(NC(=O)CC(C)C(F)(F)F)[nH]1
InChIInChI=1S/C9H12F3N3O/c1-5(9(10,11)12)3-8(16)15-7-4-13-6(2)14-7/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16)
InChIKeyGNEFCPGQJPKTFL-UHFFFAOYSA-N
XLogP2.25
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide?
The IUPAC name of 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide (CID 175864489) is 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide.
What is the SMILES notation for 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide?
The canonical SMILES for 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide is Cc1ncc(NC(=O)CC(C)C(F)(F)F)[nH]1.
What is the InChIKey of 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide?
The InChIKey is GNEFCPGQJPKTFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5(9(10,11)12)3-8(16)15-7-4-13-6(2)14-7/h4-5H,3H2,1-2H3,(H,13,14)(H,15,16).
What are the key properties of 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide?
4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide has a molecular weight of 235.21 g/mol, XLogP of 2.25, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-3-methyl-N-(2-methyl-1H-imidazol-5-yl)butanamide is sourced from PubChem (CID 175864489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).