[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol

C15H11BrClFN2O — CID 58324162

IUPAC[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol
SMILESOCc1cc2[nH]cnc2c(F)c1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H11BrClFN2O/c16-10-2-1-8(12(17)5-10)3-11-9(6-21)4-13-15(14(11)18)20-7-19-13/h1-2,4-5,7,21H,3,6H2,(H,19,20)
InChIKeyULMXOUDZXYDWBQ-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.20
Rot. Bonds3

About [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol

[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol (PubChem CID 58324162) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol.

Molecular Properties

Compound Name[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol
PubChem CID58324162
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol
SMILESOCc1cc2[nH]cnc2c(F)c1Cc1ccc(Br)cc1Cl
InChIInChI=1S/C15H11BrClFN2O/c16-10-2-1-8(12(17)5-10)3-11-9(6-21)4-13-15(14(11)18)20-7-19-13/h1-2,4-5,7,21H,3,6H2,(H,19,20)
InChIKeyULMXOUDZXYDWBQ-UHFFFAOYSA-N
XLogP4.20
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

[6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3H-benzoimidazol-5-yl]-methanol
CID 11428680
3H-benzimidazol-5-yl-(3-fluorophenyl)methanol
CID 20026565
1-[6-(4-Bromo-2-chloro-phenylamino)-7-fluoro-3H-benzoimidazol-5-yl]-ethane-1,2-diol
CID 21114170
3H-benzimidazol-5-yl-(4-fluorophenyl)methanol
CID 22927978
[6-[(4-Bromo-2-chlorophenyl)methyl]-7-fluoro-3-methylbenzimidazol-5-yl]-pyridin-2-ylmethanol
CID 58324189
methyl 6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazole-5-carboxylate
CID 58324247
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]-2-hydroxyethanone
CID 58324269
1-[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]ethane-1,2-diol
CID 58324349
2-[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]ethanol
CID 141078277
[2-(3H-benzimidazol-5-yl)-4-fluorophenyl]methanol
CID 171064555
[2-(3H-benzimidazol-5-yl)-4,6-difluorophenyl]methanol
CID 171064598
1-[6-(4-bromo-2-chloroanilino)-7-fluoro-3H-benzimidazol-5-yl]ethanol
CID 173195874

Frequently Asked Questions

What is the IUPAC name of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol?
The IUPAC name of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol (CID 58324162) is [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol.
What is the SMILES notation for [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol?
The canonical SMILES for [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol is OCc1cc2[nH]cnc2c(F)c1Cc1ccc(Br)cc1Cl.
What is the InChIKey of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol?
The InChIKey is ULMXOUDZXYDWBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c16-10-2-1-8(12(17)5-10)3-11-9(6-21)4-13-15(14(11)18)20-7-19-13/h1-2,4-5,7,21H,3,6H2,(H,19,20).
What are the key properties of [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol?
[6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol has a molecular weight of 369.62 g/mol, XLogP of 4.20, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-[(4-bromo-2-chlorophenyl)methyl]-7-fluoro-3H-benzimidazol-5-yl]methanol is sourced from PubChem (CID 58324162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).