(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

C15H10BrF3N2O2 — CID 54673279

IUPAC(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C15H10BrF3N2O2/c16-9-3-6-11-12(7-9)21-14(20-11)13(22)8-1-4-10(5-2-8)23-15(17,18)19/h1-7,13,22H,(H,20,21)
InChIKeyYQNBYVNWJWSUAG-UHFFFAOYSA-N
MW387.16 g/mol
LogP4.31
Rot. Bonds3

About (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol

(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (PubChem CID 54673279) has the molecular formula C15H10BrF3N2O2 and a molecular weight of 387.16 g/mol. Its IUPAC name is (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.

Molecular Properties

Compound Name(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
PubChem CID54673279
Molecular FormulaC15H10BrF3N2O2
Molecular Weight387.16 g/mol
Exact Mass385.99
IUPAC Name(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol
SMILESOC(c1ccc(OC(F)(F)F)cc1)c1nc2ccc(Br)cc2[nH]1
InChIInChI=1S/C15H10BrF3N2O2/c16-9-3-6-11-12(7-9)21-14(20-11)13(22)8-1-4-10(5-2-8)23-15(17,18)19/h1-7,13,22H,(H,20,21)
InChIKeyYQNBYVNWJWSUAG-UHFFFAOYSA-N
XLogP4.31
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.16
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-[hydroxy-[4-(trifluoromethoxy)phenyl]methyl]-3H-benzimidazol-5-yl]ethanone
CID 70648196
(R)-(6-bromo-1H-benzimidazol-2-yl)-(4-chlorophenyl)methanol
CID 125481020
(6-methoxy-1H-benzimidazol-2-yl)-(4-methoxyphenyl)methanol
CID 89433863
6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 67165368
(R)-(6-bromo-1H-benzimidazol-2-yl)-(3-chlorophenyl)methanol
CID 125480955
(5-bromo-2-fluorophenyl)-[4-(trifluoromethoxy)phenyl]methanol
CID 79721941
(3S)-1-(6-bromo-1H-benzimidazol-2-yl)pentane-1,2,3,4,5-pentol
CID 163787245
6-bromo-2-(1-chloroethyl)-1H-benzimidazole
CID 47003349
[(2S,3R)-4-(6-bromo-1H-benzimidazol-2-yl)-1,2,3,4-tetrahydroxybutyl] formate
CID 118151469
6-bromo-2-(1-chloroethyl)-1H-benzimidazole;hydrochloride
CID 47003348
2-[ethoxy-[4-(trifluoromethoxy)phenyl]methyl]-5,6-difluoro-1H-benzimidazole
CID 71294898
6-bromo-2-[bromo(difluoro)methyl]-1H-benzimidazole
CID 119085035

Frequently Asked Questions

What is the IUPAC name of (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The IUPAC name of (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol (CID 54673279) is (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol.
What is the SMILES notation for (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The canonical SMILES for (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is OC(c1ccc(OC(F)(F)F)cc1)c1nc2ccc(Br)cc2[nH]1.
What is the InChIKey of (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
The InChIKey is YQNBYVNWJWSUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrF3N2O2/c16-9-3-6-11-12(7-9)21-14(20-11)13(22)8-1-4-10(5-2-8)23-15(17,18)19/h1-7,13,22H,(H,20,21).
What are the key properties of (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol?
(6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol has a molecular weight of 387.16 g/mol, XLogP of 4.31, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-bromo-1H-benzimidazol-2-yl)-[4-(trifluoromethoxy)phenyl]methanol is sourced from PubChem (CID 54673279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).