2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol

C19H19F3N2O — CID 21300405

IUPAC2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol
SMILESCCc1nc2cc(CC(F)(F)F)ccc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C19H19F3N2O/c1-2-18-23-16-11-14(12-19(20,21)22)5-8-17(16)24(18)15-6-3-13(4-7-15)9-10-25/h3-8,11,25H,2,9-10,12H2,1H3
InChIKeyZKDSQIMAMKMUME-UHFFFAOYSA-N
MW348.37 g/mol
LogP4.23
Rot. Bonds5

About 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol

2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol (PubChem CID 21300405) has the molecular formula C19H19F3N2O and a molecular weight of 348.37 g/mol. Its IUPAC name is 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol.

Molecular Properties

Compound Name2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol
PubChem CID21300405
Molecular FormulaC19H19F3N2O
Molecular Weight348.37 g/mol
Exact Mass348.14
IUPAC Name2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol
SMILESCCc1nc2cc(CC(F)(F)F)ccc2n1-c1ccc(CCO)cc1
InChIInChI=1S/C19H19F3N2O/c1-2-18-23-16-11-14(12-19(20,21)22)5-8-17(16)24(18)15-6-3-13(4-7-15)9-10-25/h3-8,11,25H,2,9-10,12H2,1H3
InChIKeyZKDSQIMAMKMUME-UHFFFAOYSA-N
XLogP4.23
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.37
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol?
The IUPAC name of 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol (CID 21300405) is 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol.
What is the SMILES notation for 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol?
The canonical SMILES for 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol is CCc1nc2cc(CC(F)(F)F)ccc2n1-c1ccc(CCO)cc1.
What is the InChIKey of 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol?
The InChIKey is ZKDSQIMAMKMUME-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N2O/c1-2-18-23-16-11-14(12-19(20,21)22)5-8-17(16)24(18)15-6-3-13(4-7-15)9-10-25/h3-8,11,25H,2,9-10,12H2,1H3.
What are the key properties of 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol?
2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol has a molecular weight of 348.37 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-ethyl-5-(2,2,2-trifluoroethyl)benzimidazol-1-yl]phenyl]ethanol is sourced from PubChem (CID 21300405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).