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

C17H12F3N3O3 — CID 3758988

IUPAC2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)16-22-12-7-3-4-8-13(12)23(16)9-14(24)21-11-6-2-1-5-10(11)15(25)26/h1-8H,9H2,(H,21,24)(H,25,26)
InChIKeyLAUHVKZNNKSBDP-UHFFFAOYSA-N
MW363.30 g/mol
LogP3.39
Rot. Bonds4

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

2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid (PubChem CID 3758988) has the molecular formula C17H12F3N3O3 and a molecular weight of 363.30 g/mol. Its IUPAC name is 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid.

Molecular Properties

Compound Name2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
PubChem CID3758988
Molecular FormulaC17H12F3N3O3
Molecular Weight363.30 g/mol
Exact Mass363.08
IUPAC Name2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid
SMILESO=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1C(=O)O
InChIInChI=1S/C17H12F3N3O3/c18-17(19,20)16-22-12-7-3-4-8-13(12)23(16)9-14(24)21-11-6-2-1-5-10(11)15(25)26/h1-8H,9H2,(H,21,24)(H,25,26)
InChIKeyLAUHVKZNNKSBDP-UHFFFAOYSA-N
XLogP3.39
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.30
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid?
The IUPAC name of 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid (CID 3758988) is 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid.
What is the SMILES notation for 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid?
The canonical SMILES for 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid is O=C(Cn1c(C(F)(F)F)nc2ccccc21)Nc1ccccc1C(=O)O.
What is the InChIKey of 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid?
The InChIKey is LAUHVKZNNKSBDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F3N3O3/c18-17(19,20)16-22-12-7-3-4-8-13(12)23(16)9-14(24)21-11-6-2-1-5-10(11)15(25)26/h1-8H,9H2,(H,21,24)(H,25,26).
What are the key properties of 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid?
2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid has a molecular weight of 363.30 g/mol, XLogP of 3.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]benzoic acid is sourced from PubChem (CID 3758988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).