2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol

C15H11F3N2O2 — CID 135616944

IUPAC2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
SMILESCOc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1O
InChIInChI=1S/C15H11F3N2O2/c1-22-13-6-8(2-5-12(13)21)14-19-10-4-3-9(15(16,17)18)7-11(10)20-14/h2-7,21H,1H3,(H,19,20)
InChIKeyLLYOFESDMYBKIT-UHFFFAOYSA-N
MW308.26 g/mol
LogP3.96
Rot. Bonds2

About 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol

2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol (PubChem CID 135616944) has the molecular formula C15H11F3N2O2 and a molecular weight of 308.26 g/mol. Its IUPAC name is 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol.

Molecular Properties

Compound Name2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
PubChem CID135616944
Molecular FormulaC15H11F3N2O2
Molecular Weight308.26 g/mol
Exact Mass308.08
IUPAC Name2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol
SMILESCOc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1O
InChIInChI=1S/C15H11F3N2O2/c1-22-13-6-8(2-5-12(13)21)14-19-10-4-3-9(15(16,17)18)7-11(10)20-14/h2-7,21H,1H3,(H,19,20)
InChIKeyLLYOFESDMYBKIT-UHFFFAOYSA-N
XLogP3.96
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.26
LogP ≤ 53.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-methoxy-4-(6-phenyl-1H-benzimidazol-2-yl)phenol
CID 140987224
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
2-(3,4-dimethoxyphenyl)-3H-benzimidazol-5-ol
CID 81432333
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzene-1,4-diol
CID 136903850
N-[(4-methoxyphenyl)methyl]-1-[4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methanamine
CID 44524536
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol?
The IUPAC name of 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol (CID 135616944) is 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol.
What is the SMILES notation for 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol?
The canonical SMILES for 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol is COc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1O.
What is the InChIKey of 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol?
The InChIKey is LLYOFESDMYBKIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O2/c1-22-13-6-8(2-5-12(13)21)14-19-10-4-3-9(15(16,17)18)7-11(10)20-14/h2-7,21H,1H3,(H,19,20).
What are the key properties of 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol?
2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol has a molecular weight of 308.26 g/mol, XLogP of 3.96, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenol is sourced from PubChem (CID 135616944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).