2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid

C18H14F3N3O3 — CID 1485409

IUPAC2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
SMILESC[C@H](C(=O)Nc1ccccc1C(=O)O)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C18H14F3N3O3/c1-10(15(25)22-12-7-3-2-6-11(12)16(26)27)24-14-9-5-4-8-13(14)23-17(24)18(19,20)21/h2-10H,1H3,(H,22,25)(H,26,27)/t10-/m1/s1
InChIKeyOONQDSOEIRYYQN-SNVBAGLBSA-N
MW377.32 g/mol
LogP3.95
Rot. Bonds4

About 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid

2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid (PubChem CID 1485409) has the molecular formula C18H14F3N3O3 and a molecular weight of 377.32 g/mol. Its IUPAC name is 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
PubChem CID1485409
Molecular FormulaC18H14F3N3O3
Molecular Weight377.32 g/mol
Exact Mass377.10
IUPAC Name2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid
SMILESC[C@H](C(=O)Nc1ccccc1C(=O)O)n1c(C(F)(F)F)nc2ccccc21
InChIInChI=1S/C18H14F3N3O3/c1-10(15(25)22-12-7-3-2-6-11(12)16(26)27)24-14-9-5-4-8-13(14)23-17(24)18(19,20)21/h2-10H,1H3,(H,22,25)(H,26,27)/t10-/m1/s1
InChIKeyOONQDSOEIRYYQN-SNVBAGLBSA-N
XLogP3.95
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.32
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-difluorophenyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanamide
CID 3757026
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
(2R)-2-(benzotriazol-1-yl)-N-[2-(pyrrolidine-1-carbonyl)phenyl]propanamide
CID 7205767
2-[[3,3,3-trifluoro-2-(trifluoromethyl)propanoyl]amino]benzoic acid
CID 589696
N-[2-(dimethylcarbamoyl)phenyl]-1-propan-2-yl-2-(trifluoromethyl)benzimidazole-5-carboxamide
CID 86955511
N-[2-[2-(trifluoromethyl)benzimidazol-1-yl]phenyl]acetamide
CID 141143760
3-(2-tert-butylbenzimidazol-1-yl)butan-2-one
CID 17000493
[(2S)-1-(2-methylanilino)-1-oxopropan-2-yl] 2-[2-(trifluoromethyl)benzimidazol-1-yl]acetate
CID 40633280
3-(1-cyclopropylethyl)-2-(trifluoromethyl)benzimidazole-4-carboxylic acid
CID 115932914

Frequently Asked Questions

What is the IUPAC name of 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid?
The IUPAC name of 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid (CID 1485409) is 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid.
What is the SMILES notation for 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid?
The canonical SMILES for 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid is C[C@H](C(=O)Nc1ccccc1C(=O)O)n1c(C(F)(F)F)nc2ccccc21.
What is the InChIKey of 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid?
The InChIKey is OONQDSOEIRYYQN-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H14F3N3O3/c1-10(15(25)22-12-7-3-2-6-11(12)16(26)27)24-14-9-5-4-8-13(14)23-17(24)18(19,20)21/h2-10H,1H3,(H,22,25)(H,26,27)/t10-/m1/s1.
What are the key properties of 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid?
2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid has a molecular weight of 377.32 g/mol, XLogP of 3.95, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(2R)-2-[2-(trifluoromethyl)benzimidazol-1-yl]propanoyl]amino]benzoic acid is sourced from PubChem (CID 1485409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).