4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol

C13H8BrFN2O — CID 174239209

IUPAC4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol
SMILESOc1ccc(-n2cnc3c(Br)cc(F)cc32)cc1
InChIInChI=1S/C13H8BrFN2O/c14-11-5-8(15)6-12-13(11)16-7-17(12)9-1-3-10(18)4-2-9/h1-7,18H
InChIKeyFMHLENPKHNSNCO-UHFFFAOYSA-N
MW307.12 g/mol
LogP3.63
Rot. Bonds1

About 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol

4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol (PubChem CID 174239209) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol.

Molecular Properties

Compound Name4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol
PubChem CID174239209
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol
SMILESOc1ccc(-n2cnc3c(Br)cc(F)cc32)cc1
InChIInChI=1S/C13H8BrFN2O/c14-11-5-8(15)6-12-13(11)16-7-17(12)9-1-3-10(18)4-2-9/h1-7,18H
InChIKeyFMHLENPKHNSNCO-UHFFFAOYSA-N
XLogP3.63
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-difluoro-1-hydroxybenzimidazole
CID 10607229
7-(2-fluorophenyl)-3-(4-hydroxyphenyl)thieno[3,2-d]pyrimidin-4-one
CID 78321116
6-fluoro-3-(4-fluorophenyl)benzimidazole-5-carboxylic acid
CID 143868897
4-[4-[6-amino-9-(4-fluorophenyl)purin-2-yl]piperazin-1-yl]phenol
CID 155102719
1-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]-2,2,2-trideuterioethanone
CID 52911485
1-(4-aminophenyl)benzimidazol-5-ol;ethane
CID 145364845
1-(5-bromo-4-fluoro-2-methylphenyl)benzimidazole-4-carboxylic acid
CID 107593291
4-bromo-2-(4-fluorophenyl)-6-hydroxyisoquinolin-1-one
CID 158983207
1-(5-bromo-3-pyridinyl)-6-fluorobenzimidazole
CID 141330039
4-bromo-6-fluoro-1-(4-fluorophenyl)indole;ethane;1-fluoro-4-hydroperoxybenzene
CID 156878754
6-fluoro-1-[5-(6-fluorobenzimidazol-1-yl)-2-phenylphenyl]benzimidazole-4-carboxylic acid
CID 141290745
2-[1-(3-bromo-4-fluorophenyl)benzimidazol-5-yl]-1,1,1-trideuteriopropan-2-ol
CID 58349897

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol?
The IUPAC name of 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol (CID 174239209) is 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol.
What is the SMILES notation for 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol?
The canonical SMILES for 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol is Oc1ccc(-n2cnc3c(Br)cc(F)cc32)cc1.
What is the InChIKey of 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol?
The InChIKey is FMHLENPKHNSNCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c14-11-5-8(15)6-12-13(11)16-7-17(12)9-1-3-10(18)4-2-9/h1-7,18H.
What are the key properties of 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol?
4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol has a molecular weight of 307.12 g/mol, XLogP of 3.63, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-6-fluorobenzimidazol-1-yl)phenol is sourced from PubChem (CID 174239209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).