[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol

C28H21F3N2O2 — CID 71568068

IUPAC[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)
InChIKeyZBFFRSOBUFXEKD-UHFFFAOYSA-N
MW474.48 g/mol
LogP6.91
Rot. Bonds6

About [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol

[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol (PubChem CID 71568068) has the molecular formula C28H21F3N2O2 and a molecular weight of 474.48 g/mol. Its IUPAC name is [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol.

Molecular Properties

Compound Name[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol
PubChem CID71568068
Molecular FormulaC28H21F3N2O2
Molecular Weight474.48 g/mol
Exact Mass474.16
IUPAC Name[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol
SMILESOC(c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c2c1)c1ccccc1C(F)(F)F
InChIInChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33)
InChIKeyZBFFRSOBUFXEKD-UHFFFAOYSA-N
XLogP6.91
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500474.48
LogP ≤ 56.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol?
The IUPAC name of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol (CID 71568068) is [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol.
What is the SMILES notation for [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol?
The canonical SMILES for [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol is OC(c1ccc2nc(-c3ccc(OCc4ccccc4)cc3)[nH]c2c1)c1ccccc1C(F)(F)F.
What is the InChIKey of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol?
The InChIKey is ZBFFRSOBUFXEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21F3N2O2/c29-28(30,31)23-9-5-4-8-22(23)26(34)20-12-15-24-25(16-20)33-27(32-24)19-10-13-21(14-11-19)35-17-18-6-2-1-3-7-18/h1-16,26,34H,17H2,(H,32,33).
What are the key properties of [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol?
[2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol has a molecular weight of 474.48 g/mol, XLogP of 6.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(4-phenylmethoxyphenyl)-3H-benzimidazol-5-yl]-[2-(trifluoromethyl)phenyl]methanol is sourced from PubChem (CID 71568068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).