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

C16H13F3N2O2 — CID 175886024

IUPAC1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2c(-c3ccc(OC(F)(F)F)cc3)cccc2[nH]1
InChIInChI=1S/C16H13F3N2O2/c1-9(22)15-20-13-4-2-3-12(14(13)21-15)10-5-7-11(8-6-10)23-16(17,18)19/h2-9,22H,1H3,(H,20,21)
InChIKeyVEKCDRKFOLJKNH-UHFFFAOYSA-N
MW322.29 g/mol
LogP4.18
Rot. Bonds3

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

1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol (PubChem CID 175886024) has the molecular formula C16H13F3N2O2 and a molecular weight of 322.29 g/mol. Its IUPAC name is 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol.

Molecular Properties

Compound Name1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
PubChem CID175886024
Molecular FormulaC16H13F3N2O2
Molecular Weight322.29 g/mol
Exact Mass322.09
IUPAC Name1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol
SMILESCC(O)c1nc2c(-c3ccc(OC(F)(F)F)cc3)cccc2[nH]1
InChIInChI=1S/C16H13F3N2O2/c1-9(22)15-20-13-4-2-3-12(14(13)21-15)10-5-7-11(8-6-10)23-16(17,18)19/h2-9,22H,1H3,(H,20,21)
InChIKeyVEKCDRKFOLJKNH-UHFFFAOYSA-N
XLogP4.18
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.29
LogP ≤ 54.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-4-fluoro-1H-benzimidazole
CID 54672814
methyl 2-[(1S)-1-hydroxyethyl]-1H-benzimidazole-4-carboxylate
CID 115357702
2-[2-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554031
2-chloro-4-(4-methoxyphenyl)-1H-benzimidazole
CID 121320344
2-[4-(trifluoromethoxy)phenyl]phenol
CID 23225048
1-[6-iodo-8-[4-(trifluoromethoxy)phenyl]quinoxalin-5-yl]ethanol
CID 168825271
(1S)-1-(6-quinolin-8-yl-1H-benzimidazol-2-yl)ethanol
CID 95188258
4-[4-(trifluoromethoxy)phenyl]-1H-indole-3-carbaldehyde
CID 118807088
1,2-difluoro-3-[4-(trifluoromethoxy)phenyl]benzene
CID 118854668
propan-2-ol;trifluoromethoxybenzene
CID 161029707
4-(4-chlorophenyl)-2-(4-methoxyphenyl)-1H-benzimidazole
CID 67701746
2-[4-[4-(trifluoromethoxy)phenyl]phenyl]-1H-benzimidazole
CID 168554030

Frequently Asked Questions

What is the IUPAC name of 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
The IUPAC name of 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol (CID 175886024) is 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol.
What is the SMILES notation for 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
The canonical SMILES for 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol is CC(O)c1nc2c(-c3ccc(OC(F)(F)F)cc3)cccc2[nH]1.
What is the InChIKey of 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
The InChIKey is VEKCDRKFOLJKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F3N2O2/c1-9(22)15-20-13-4-2-3-12(14(13)21-15)10-5-7-11(8-6-10)23-16(17,18)19/h2-9,22H,1H3,(H,20,21).
What are the key properties of 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol?
1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol has a molecular weight of 322.29 g/mol, XLogP of 4.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[4-(trifluoromethoxy)phenyl]-1H-benzimidazol-2-yl]ethanol is sourced from PubChem (CID 175886024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).