3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol

C15H11F3N2O2 — CID 15175567

IUPAC3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3ccc(O)cc32)cc1
InChIInChI=1S/C15H11F3N2O2/c1-22-11-5-2-9(3-6-11)20-13-8-10(21)4-7-12(13)19-14(20)15(16,17)18/h2-8,21H,1H3
InChIKeyUJPTVXMZILZQKA-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.76
Rot. Bonds2

About 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol

3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol (PubChem CID 15175567) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol
PubChem CID15175567
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol
SMILESCOc1ccc(-n2c(C(F)(F)F)nc3ccc(O)cc32)cc1
InChIInChI=1S/C15H11F3N2O2/c1-22-11-5-2-9(3-6-11)20-13-8-10(21)4-7-12(13)19-14(20)15(16,17)18/h2-8,21H,1H3
InChIKeyUJPTVXMZILZQKA-UHFFFAOYSA-N
XLogP3.76
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
The IUPAC name of 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol (CID 15175567) is 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
The canonical SMILES for 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol is COc1ccc(-n2c(C(F)(F)F)nc3ccc(O)cc32)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
The InChIKey is UJPTVXMZILZQKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-22-11-5-2-9(3-6-11)20-13-8-10(21)4-7-12(13)19-14(20)15(16,17)18/h2-8,21H,1H3.
What are the key properties of 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol?
3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol has a molecular weight of 308.26 g/mol, XLogP of 3.76, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-(trifluoromethyl)benzimidazol-5-ol is sourced from PubChem (CID 15175567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).