2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol

C17H15F3N2O — CID 46308134

IUPAC2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
SMILESCc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CCO
InChIInChI=1S/C17H15F3N2O/c1-11-4-2-3-5-13(11)16-21-14-10-12(17(18,19)20)6-7-15(14)22(16)8-9-23/h2-7,10,23H,8-9H2,1H3
InChIKeyUZQWWOSWBXRZHU-UHFFFAOYSA-N
MW320.31 g/mol
LogP4.02
Rot. Bonds3

About 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol

2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol (PubChem CID 46308134) has the molecular formula C17H15F3N2O and a molecular weight of 320.31 g/mol. Its IUPAC name is 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
PubChem CID46308134
Molecular FormulaC17H15F3N2O
Molecular Weight320.31 g/mol
Exact Mass320.11
IUPAC Name2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol
SMILESCc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CCO
InChIInChI=1S/C17H15F3N2O/c1-11-4-2-3-5-13(11)16-21-14-10-12(17(18,19)20)6-7-15(14)22(16)8-9-23/h2-7,10,23H,8-9H2,1H3
InChIKeyUZQWWOSWBXRZHU-UHFFFAOYSA-N
XLogP4.02
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.31
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The IUPAC name of 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol (CID 46308134) is 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol is Cc1ccccc1-c1nc2cc(C(F)(F)F)ccc2n1CCO.
What is the InChIKey of 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
The InChIKey is UZQWWOSWBXRZHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F3N2O/c1-11-4-2-3-5-13(11)16-21-14-10-12(17(18,19)20)6-7-15(14)22(16)8-9-23/h2-7,10,23H,8-9H2,1H3.
What are the key properties of 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol?
2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol has a molecular weight of 320.31 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2-methylphenyl)-5-(trifluoromethyl)benzimidazol-1-yl]ethanol is sourced from PubChem (CID 46308134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).