N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

C17H12F5N3O — CID 3757026

IUPACN-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C17H12F5N3O/c1-9(15(26)23-12-7-6-10(18)8-11(12)19)25-14-5-3-2-4-13(14)24-16(25)17(20,21)22/h2-9H,1H3,(H,23,26)
InChIKeyCDJQMRLTXJGLHQ-UHFFFAOYSA-N
MW369.29 g/mol
LogP4.53
Rot. Bonds3

About N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (PubChem CID 3757026) has the molecular formula C17H12F5N3O and a molecular weight of 369.29 g/mol. Its IUPAC name is N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
PubChem CID3757026
Molecular FormulaC17H12F5N3O
Molecular Weight369.29 g/mol
Exact Mass369.09
IUPAC NameN-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESCC(C(=O)Nc1ccc(F)cc1F)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C17H12F5N3O/c1-9(15(26)23-12-7-6-10(18)8-11(12)19)25-14-5-3-2-4-13(14)24-16(25)17(20,21)22/h2-9H,1H3,(H,23,26)
InChIKeyCDJQMRLTXJGLHQ-UHFFFAOYSA-N
XLogP4.53
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.29
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-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

Related Compounds

2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
CID 1485409
N-(2,4-difluorophenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630035
N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3715694
(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 1485402
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
2-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
CID 646477
1-(2,4-difluorophenyl)-3-[2-(2-methylbenzimidazol-1-yl)ethyl]urea
CID 46287063
2-cyano-N-(2,4-difluorophenyl)propanamide
CID 55208250
N-(2,4-difluorophenyl)-2-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]propanamide
CID 50875751
N-(2,4-difluorophenyl)-4-(1-methylbenzimidazol-2-yl)piperazine-1-carboxamide
CID 46375509
(2R)-N-(2,4-difluorophenyl)-2,3,3,3-tetrafluoropropanamide
CID 2316423
[(2R)-1-(2,4-difluoroanilino)-1-oxopropan-2-yl] 2-chloroquinoline-4-carboxylate
CID 8739165

Frequently Asked Questions

What is the IUPAC name of N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (CID 3757026) is N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is CC(C(=O)Nc1ccc(F)cc1F)n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The InChIKey is CDJQMRLTXJGLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F5N3O/c1-9(15(26)23-12-7-6-10(18)8-11(12)19)25-14-5-3-2-4-13(14)24-16(25)17(20,21)22/h2-9H,1H3,(H,23,26).
What are the key properties of N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide has a molecular weight of 369.29 g/mol, XLogP of 4.53, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 3757026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).