3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid

C20H12F3N3O2 — CID 58517052

IUPAC3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2c(-c3cccnc3)nc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)14-6-7-17-16(10-14)25-18(13-4-2-8-24-11-13)26(17)15-5-1-3-12(9-15)19(27)28/h1-11H,(H,27,28)
InChIKeyQGYGEQMOUBJRRX-UHFFFAOYSA-N
MW383.33 g/mol
LogP4.80
Rot. Bonds3

About 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid

3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid (PubChem CID 58517052) has the molecular formula C20H12F3N3O2 and a molecular weight of 383.33 g/mol. Its IUPAC name is 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
PubChem CID58517052
Molecular FormulaC20H12F3N3O2
Molecular Weight383.33 g/mol
Exact Mass383.09
IUPAC Name3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2c(-c3cccnc3)nc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C20H12F3N3O2/c21-20(22,23)14-6-7-17-16(10-14)25-18(13-4-2-8-24-11-13)26(17)15-5-1-3-12(9-15)19(27)28/h1-11H,(H,27,28)
InChIKeyQGYGEQMOUBJRRX-UHFFFAOYSA-N
XLogP4.80
TPSA68.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.33
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
The IUPAC name of 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid (CID 58517052) is 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid.
What is the SMILES notation for 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
The canonical SMILES for 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid is O=C(O)c1cccc(-n2c(-c3cccnc3)nc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
The InChIKey is QGYGEQMOUBJRRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N3O2/c21-20(22,23)14-6-7-17-16(10-14)25-18(13-4-2-8-24-11-13)26(17)15-5-1-3-12(9-15)19(27)28/h1-11H,(H,27,28).
What are the key properties of 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid has a molecular weight of 383.33 g/mol, XLogP of 4.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid is sourced from PubChem (CID 58517052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).