2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol

C13H8BrFN2O — CID 136837301

IUPAC2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1Br
InChIInChI=1S/C13H8BrFN2O/c14-9-5-7(1-4-12(9)18)13-16-10-3-2-8(15)6-11(10)17-13/h1-6,18H,(H,16,17)
InChIKeyFTXNHAQKQCZYCZ-UHFFFAOYSA-N
MW307.12 g/mol
LogP3.84
Rot. Bonds1

About 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol

2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol (PubChem CID 136837301) has the molecular formula C13H8BrFN2O and a molecular weight of 307.12 g/mol. Its IUPAC name is 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
PubChem CID136837301
Molecular FormulaC13H8BrFN2O
Molecular Weight307.12 g/mol
Exact Mass305.98
IUPAC Name2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1Br
InChIInChI=1S/C13H8BrFN2O/c14-9-5-7(1-4-12(9)18)13-16-10-3-2-8(15)6-11(10)17-13/h1-6,18H,(H,16,17)
InChIKeyFTXNHAQKQCZYCZ-UHFFFAOYSA-N
XLogP3.84
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.12
LogP ≤ 53.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
4-(1H-benzimidazol-2-yl)-2-bromophenol
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4-(6-fluoro-1H-benzimidazol-2-yl)aniline
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CID 54919597
6-fluoro-2-pyrimidin-5-yl-1H-benzimidazole
CID 102922110
2-(3-bromo-2-fluorophenyl)-6-fluoro-1H-benzimidazole
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6-fluoro-2-(2-methyl-4-pyridinyl)-1H-benzimidazole
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2-[4-(6-fluoro-1H-benzimidazol-2-yl)anilino]ethanol
CID 60837203
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
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CID 103597133

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol (CID 136837301) is 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol is Oc1ccc(-c2nc3ccc(F)cc3[nH]2)cc1Br.
What is the InChIKey of 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol?
The InChIKey is FTXNHAQKQCZYCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrFN2O/c14-9-5-7(1-4-12(9)18)13-16-10-3-2-8(15)6-11(10)17-13/h1-6,18H,(H,16,17).
What are the key properties of 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol?
2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol has a molecular weight of 307.12 g/mol, XLogP of 3.84, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 136837301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).