(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

C17H15F3N4O — CID 1485402

IUPAC(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccncc1)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C17H15F3N4O/c1-11(15(25)22-10-12-6-8-21-9-7-12)24-14-5-3-2-4-13(14)23-16(24)17(18,19)20/h2-9,11H,10H2,1H3,(H,22,25)/t11-/m0/s1
InChIKeyXCNMWRNPLDBQDQ-NSHDSACASA-N
MW348.33 g/mol
LogP3.33
Rot. Bonds4

About (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide

(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (PubChem CID 1485402) has the molecular formula C17H15F3N4O and a molecular weight of 348.33 g/mol. Its IUPAC name is (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
PubChem CID1485402
Molecular FormulaC17H15F3N4O
Molecular Weight348.33 g/mol
Exact Mass348.12
IUPAC Name(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
SMILESC[C@@H](C(=O)NCc1ccncc1)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C17H15F3N4O/c1-11(15(25)22-10-12-6-8-21-9-7-12)24-14-5-3-2-4-13(14)23-16(24)17(18,19)20/h2-9,11H,10H2,1H3,(H,22,25)/t11-/m0/s1
InChIKeyXCNMWRNPLDBQDQ-NSHDSACASA-N
XLogP3.33
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.33
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-methylphenyl)methyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3715694
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
1-propan-2-yl-2-(trifluoromethyl)benzimidazole
CID 888592
(2S)-N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865021
2-[2-(trifluoromethyl)benzimidazol-1-yl]butanoic acid
CID 646477
(2R)-N-[(4-ethoxy-3-methoxyphenyl)methyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 92865055
N-[2-[benzyl(methyl)amino]ethyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284789
N-benzyl-2-[6,7-dimethyl-2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284818
2-(2-aminobenzimidazol-1-yl)-N-ethylpropanamide
CID 61480171
N-[3-(N-methylanilino)propyl]-2-[2-oxo-3-(trifluoromethyl)quinoxalin-1-yl]propanamide
CID 46284805

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The IUPAC name of (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide (CID 1485402) is (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The canonical SMILES for (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is C[C@@H](C(=O)NCc1ccncc1)n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
The InChIKey is XCNMWRNPLDBQDQ-NSHDSACASA-N. The full InChI is InChI=1S/C17H15F3N4O/c1-11(15(25)22-10-12-6-8-21-9-7-12)24-14-5-3-2-4-13(14)23-16(24)17(18,19)20/h2-9,11H,10H2,1H3,(H,22,25)/t11-/m0/s1.
What are the key properties of (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide?
(2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide has a molecular weight of 348.33 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(pyridin-4-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide is sourced from PubChem (CID 1485402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).