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

C21H13F3N2O2 — CID 42643617

IUPAC3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2c(-c3ccccc3)nc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C21H13F3N2O2/c22-21(23,24)15-9-10-18-17(12-15)25-19(13-5-2-1-3-6-13)26(18)16-8-4-7-14(11-16)20(27)28/h1-12H,(H,27,28)
InChIKeyYWPUFRPMQLPAIJ-UHFFFAOYSA-N
MW382.34 g/mol
LogP5.41
Rot. Bonds3

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

3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid (PubChem CID 42643617) has the molecular formula C21H13F3N2O2 and a molecular weight of 382.34 g/mol. Its IUPAC name is 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid.

Molecular Properties

Compound Name3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
PubChem CID42643617
Molecular FormulaC21H13F3N2O2
Molecular Weight382.34 g/mol
Exact Mass382.09
IUPAC Name3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
SMILESO=C(O)c1cccc(-n2c(-c3ccccc3)nc3cc(C(F)(F)F)ccc32)c1
InChIInChI=1S/C21H13F3N2O2/c22-21(23,24)15-9-10-18-17(12-15)25-19(13-5-2-1-3-6-13)26(18)16-8-4-7-14(11-16)20(27)28/h1-12H,(H,27,28)
InChIKeyYWPUFRPMQLPAIJ-UHFFFAOYSA-N
XLogP5.41
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.34
LogP ≤ 55.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-(3-fluorophenyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 58516960
3-[2-pyridin-3-yl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 58517052
3-[2-benzyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid
CID 42643866
2-[3-[4,6-bis[4-(trifluoromethyl)phenyl]-1,3,5-triazin-2-yl]-5-[1-[3-(trifluoromethyl)phenyl]benzimidazol-2-yl]phenyl]-1-[3-(trifluoromethyl)phenyl]benzimidazole
CID 155173885
1-[3,5-bis(trifluoromethyl)phenyl]-2-[4-(4,6-diphenyl-1,3,5-triazin-2-yl)phenyl]benzimidazole
CID 155173845
2-[3-methyl-5-(trifluoromethyl)phenyl]-1-[3-[4-[3-[2-[3-methyl-5-(trifluoromethyl)phenyl]benzimidazol-1-yl]phenyl]-6-phenyl-1,3,5-triazin-2-yl]phenyl]benzimidazole
CID 155186086
ethyl 3-[2-(methoxymethyl)-5-(trifluoromethyl)benzimidazol-1-yl]benzoate
CID 58517030
2-[3-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
CID 15503234
propan-2-yl 6-[2-phenyl-3-[3-(trifluoromethyl)phenyl]benzimidazol-5-yl]oxyhexanoate
CID 10142261
5-methyl-1,2-diphenylbenzimidazole
CID 45104351
2-phenyl-1-propyl-5-(trifluoromethyl)benzimidazole
CID 46310703
4-[1-(4-hydroxyphenyl)benzimidazol-2-yl]benzoic acid
CID 57424060

Frequently Asked Questions

What is the IUPAC name of 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
The IUPAC name of 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid (CID 42643617) is 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid.
What is the SMILES notation for 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
The canonical SMILES for 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid is O=C(O)c1cccc(-n2c(-c3ccccc3)nc3cc(C(F)(F)F)ccc32)c1.
What is the InChIKey of 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
The InChIKey is YWPUFRPMQLPAIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13F3N2O2/c22-21(23,24)15-9-10-18-17(12-15)25-19(13-5-2-1-3-6-13)26(18)16-8-4-7-14(11-16)20(27)28/h1-12H,(H,27,28).
What are the key properties of 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid?
3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid has a molecular weight of 382.34 g/mol, XLogP of 5.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-phenyl-5-(trifluoromethyl)benzimidazol-1-yl]benzoic acid is sourced from PubChem (CID 42643617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).