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

C14H17F3N2O — CID 46310827

IUPAC1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
SMILESCC(C)Cn1c(C(C)O)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2O/c1-8(2)7-19-12-5-4-10(14(15,16)17)6-11(12)18-13(19)9(3)20/h4-6,8-9,20H,7H2,1-3H3
InChIKeyFRVYLBWWKVFXOA-UHFFFAOYSA-N
MW286.30 g/mol
LogP3.76
Rot. Bonds3

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

1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol (PubChem CID 46310827) has the molecular formula C14H17F3N2O and a molecular weight of 286.30 g/mol. Its IUPAC name is 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
PubChem CID46310827
Molecular FormulaC14H17F3N2O
Molecular Weight286.30 g/mol
Exact Mass286.13
IUPAC Name1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol
SMILESCC(C)Cn1c(C(C)O)nc2cc(C(F)(F)F)ccc21
InChIInChI=1S/C14H17F3N2O/c1-8(2)7-19-12-5-4-10(14(15,16)17)6-11(12)18-13(19)9(3)20/h4-6,8-9,20H,7H2,1-3H3
InChIKeyFRVYLBWWKVFXOA-UHFFFAOYSA-N
XLogP3.76
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol (CID 46310827) is 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol is CC(C)Cn1c(C(C)O)nc2cc(C(F)(F)F)ccc21.
What is the InChIKey of 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol?
The InChIKey is FRVYLBWWKVFXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F3N2O/c1-8(2)7-19-12-5-4-10(14(15,16)17)6-11(12)18-13(19)9(3)20/h4-6,8-9,20H,7H2,1-3H3.
What are the key properties of 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol?
1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol has a molecular weight of 286.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-methylpropyl)-5-(trifluoromethyl)benzimidazol-2-yl]ethanol is sourced from PubChem (CID 46310827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).