N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

C19H18F3N3O — CID 3715694

IUPACN-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESCc1ccc(CNC(=O)C(C)n2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C19H18F3N3O/c1-12-7-9-14(10-8-12)11-23-17(26)13(2)25-16-6-4-3-5-15(16)24-18(25)19(20,21)22/h3-10,13H,11H2,1-2H3,(H,23,26)
InChIKeyJXIIANWUOISDLF-UHFFFAOYSA-N
MW361.37 g/mol
LogP4.24
Rot. Bonds4

About N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (PubChem CID 3715694) has the molecular formula C19H18F3N3O and a molecular weight of 361.37 g/mol. Its IUPAC name is N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound NameN-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
PubChem CID3715694
Molecular FormulaC19H18F3N3O
Molecular Weight361.37 g/mol
Exact Mass361.14
IUPAC NameN-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESCc1ccc(CNC(=O)C(C)n2c(C(F)(F)F)nc3ccccc32)cc1
InChIInChI=1S/C19H18F3N3O/c1-12-7-9-14(10-8-12)11-23-17(26)13(2)25-16-6-4-3-5-15(16)24-18(25)19(20,21)22/h3-10,13H,11H2,1-2H3,(H,23,26)
InChIKeyJXIIANWUOISDLF-UHFFFAOYSA-N
XLogP4.24
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.37
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 1485402
N-[(4-fluorophenyl)methyl]-2-(2-methylbenzimidazol-1-yl)propanamide
CID 134102969
2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
CID 1485409
N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3757026
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865021
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
(2R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865055
N-benzyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284818
2-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
CID 646477
N-[2-[benzyl(methyl)amino]ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284789
N-benzyl-2-[2-(2,3-dihydro-1-benzofuran-5-yl)benzimidazol-1-yl]propanamide
CID 53382987
(2R)-N-[(4-methylphenyl)methyl]-2-(4-oxo-2-sulfanylidene-1H-quinazolin-3-yl)propanamide
CID 8927523

Frequently Asked Questions

What is the IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (CID 3715694) is N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is Cc1ccc(CNC(=O)C(C)n2c(C(F)(F)F)nc3ccccc32)cc1.
What is the InChIKey of N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The InChIKey is JXIIANWUOISDLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O/c1-12-7-9-14(10-8-12)11-23-17(26)13(2)25-16-6-4-3-5-15(16)24-18(25)19(20,21)22/h3-10,13H,11H2,1-2H3,(H,23,26).
What are the key properties of N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide has a molecular weight of 361.37 g/mol, XLogP of 4.24, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 3715694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).