N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide

C14H14F3N3O — CID 4616323

IUPACN-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1ccnc1
InChIInChI=1S/C14H14F3N3O/c1-9(2)13(21)19-11-7-10(14(15,16)17)3-4-12(11)20-6-5-18-8-20/h3-9H,1-2H3,(H,19,21)
InChIKeyVJLYCVOUJOQNNU-UHFFFAOYSA-N
MW297.28 g/mol
LogP3.49
Rot. Bonds3

About N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide

N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide (PubChem CID 4616323) has the molecular formula C14H14F3N3O and a molecular weight of 297.28 g/mol. Its IUPAC name is N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide
PubChem CID4616323
Molecular FormulaC14H14F3N3O
Molecular Weight297.28 g/mol
Exact Mass297.11
IUPAC NameN-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide
SMILESCC(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1ccnc1
InChIInChI=1S/C14H14F3N3O/c1-9(2)13(21)19-11-7-10(14(15,16)17)3-4-12(11)20-6-5-18-8-20/h3-9H,1-2H3,(H,19,21)
InChIKeyVJLYCVOUJOQNNU-UHFFFAOYSA-N
XLogP3.49
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.28
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Methyl-1H-imidazol-1-yl)-5-(trifluoromethyl)aniline
CID 12002825
6-(2-Imidazol-1-yl-vinyl)-1H-quinolin-2-one
CID 14373279
8-(2-Fluoro-phenyl)-4-(3-imidazol-1-yl-phenyl)-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 22224657
1-(4-Trifluoromethylphenyl)imidazole
CID 141198
1-(m-Tolyl)imidazole
CID 520197
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2,2-dimethylpropanamide
CID 4463079
N-(3,4-Dimethyl-phenyl)-2-imidazol-1-yl-acetamide
CID 686405
N-[4-(1H-imidazol-1-ylmethyl)phenyl]-3-(trifluoromethyl)benzamide
CID 1508858
3-imidazol-1-yl-N-phenylbutanamide
CID 4876350
N-(3-fluoro-4-methylphenyl)-2-(1-methylimidazol-2-yl)sulfanylacetamide
CID 4879501
7-Dimethylamino-4-(3-imidazol-1-yl-phenyl)-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10201802
4-(3-Imidazol-1-yl-phenyl)-7-isobutylamino-8-trifluoromethyl-1,3-dihydro-benzo[b][1,4]diazepin-2-one
CID 10297067

Frequently Asked Questions

What is the IUPAC name of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
The IUPAC name of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide (CID 4616323) is N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
The canonical SMILES for N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide is CC(C)C(=O)Nc1cc(C(F)(F)F)ccc1-n1ccnc1.
What is the InChIKey of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
The InChIKey is VJLYCVOUJOQNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3N3O/c1-9(2)13(21)19-11-7-10(14(15,16)17)3-4-12(11)20-6-5-18-8-20/h3-9H,1-2H3,(H,19,21).
What are the key properties of N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide?
N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide has a molecular weight of 297.28 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-imidazol-1-yl-5-(trifluoromethyl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 4616323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).