1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol

C10H9F3N2O — CID 604588

IUPAC1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H9F3N2O/c1-5(16)9-14-7-3-2-6(10(11,12)13)4-8(7)15-9/h2-5,16H,1H3,(H,14,15)
InChIKeyMEKOYRHVHWFZHJ-UHFFFAOYSA-N
MW230.19 g/mol
LogP2.63
Rot. Bonds1

About 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol

1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol (PubChem CID 604588) has the molecular formula C10H9F3N2O and a molecular weight of 230.19 g/mol. Its IUPAC name is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
PubChem CID604588
Molecular FormulaC10H9F3N2O
Molecular Weight230.19 g/mol
Exact Mass230.07
IUPAC Name1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2ccc(C(F)(F)F)cc2[nH]1
InChIInChI=1S/C10H9F3N2O/c1-5(16)9-14-7-3-2-6(10(11,12)13)4-8(7)15-9/h2-5,16H,1H3,(H,14,15)
InChIKeyMEKOYRHVHWFZHJ-UHFFFAOYSA-N
XLogP2.63
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.19
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol (CID 604588) is 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol is CC(O)c1nc2ccc(C(F)(F)F)cc2[nH]1.
What is the InChIKey of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol?
The InChIKey is MEKOYRHVHWFZHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O/c1-5(16)9-14-7-3-2-6(10(11,12)13)4-8(7)15-9/h2-5,16H,1H3,(H,14,15).
What are the key properties of 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol?
1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol has a molecular weight of 230.19 g/mol, XLogP of 2.63, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 604588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).