(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol

C17H12F6N2O2 — CID 97312272

IUPAC(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol
SMILESO[C@@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)15-24-12-3-1-2-4-13(12)25(15)9-14(26)10-5-7-11(8-6-10)27-17(21,22)23/h1-8,14,26H,9H2/t14-/m0/s1
InChIKeyCXSISJJNERJDPP-AWEZNQCLSA-N
MW390.28 g/mol
LogP4.69
Rot. Bonds4

About (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol

(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol (PubChem CID 97312272) has the molecular formula C17H12F6N2O2 and a molecular weight of 390.28 g/mol. Its IUPAC name is (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol
PubChem CID97312272
Molecular FormulaC17H12F6N2O2
Molecular Weight390.28 g/mol
Exact Mass390.08
IUPAC Name(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol
SMILESO[C@@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C17H12F6N2O2/c18-16(19,20)15-24-12-3-1-2-4-13(12)25(15)9-14(26)10-5-7-11(8-6-10)27-17(21,22)23/h1-8,14,26H,9H2/t14-/m0/s1
InChIKeyCXSISJJNERJDPP-AWEZNQCLSA-N
XLogP4.69
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.28
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(4-propan-2-ylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 1166400
1-[4-[(2R)-2-hydroxy-3-[2-(trifluoromethyl)benzimidazol-1-yl]propoxy]phenyl]propan-1-one
CID 30798447
(2S)-1-(4-chloro-3-methylphenoxy)-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 35583929
N-[2-cyano-1-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-yl]-4-(trifluoromethoxy)benzamide
CID 10161424
2-amino-1-[4-(trifluoromethoxy)phenyl]ethanol
CID 43209057
(1R)-2-(2-methylbenzimidazol-1-yl)-1-phenylethanol
CID 51517940
(2R)-1-[[4-(2-hydroxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 129457241
2-[2-(hydroxymethyl)benzimidazol-1-yl]-1-phenylethanol
CID 17479592
1-[2-(4-chlorophenoxy)ethyl]-2-(trifluoromethyl)benzimidazole
CID 611619
5-[2-(trifluoromethyl)benzimidazol-1-yl]pentan-1-ol
CID 111469972
2-(2-methylsulfanylbenzimidazol-1-yl)-1-phenylethanol
CID 4918049
1-[[4-(2-ethoxyethoxy)phenyl]methyl-methylamino]-3-[2-(trifluoromethyl)benzimidazol-1-yl]propan-2-ol
CID 132779489

Frequently Asked Questions

What is the IUPAC name of (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol (CID 97312272) is (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol is O[C@@H](Cn1c(C(F)(F)F)nc2ccccc21)c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The InChIKey is CXSISJJNERJDPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H12F6N2O2/c18-16(19,20)15-24-12-3-1-2-4-13(12)25(15)9-14(26)10-5-7-11(8-6-10)27-17(21,22)23/h1-8,14,26H,9H2/t14-/m0/s1.
What are the key properties of (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol?
(1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol has a molecular weight of 390.28 g/mol, XLogP of 4.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[4-(trifluoromethoxy)phenyl]-2-[2-(trifluoromethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 97312272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).