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

C13H8BrClN2O — CID 136837284

IUPAC2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Br
InChIInChI=1S/C13H8BrClN2O/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)
InChIKeyRJPJBPSOXDNUTN-UHFFFAOYSA-N
MW323.58 g/mol
LogP4.35
Rot. Bonds1

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

2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol (PubChem CID 136837284) has the molecular formula C13H8BrClN2O and a molecular weight of 323.58 g/mol. Its IUPAC name is 2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol.

Molecular Properties

Compound Name2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
PubChem CID136837284
Molecular FormulaC13H8BrClN2O
Molecular Weight323.58 g/mol
Exact Mass321.95
IUPAC Name2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
SMILESOc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Br
InChIInChI=1S/C13H8BrClN2O/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)
InChIKeyRJPJBPSOXDNUTN-UHFFFAOYSA-N
XLogP4.35
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.58
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-bromo-4-(6-fluoro-1H-benzimidazol-2-yl)phenol
CID 136837301
4-(1H-benzimidazol-2-yl)-2-bromophenol
CID 159596714
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
2-(4-tert-butylphenyl)-6-chloro-1H-benzimidazole
CID 60646324
4-(6-chloro-1H-benzimidazol-2-yl)benzene-1,3-diol
CID 136903703
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
2-(3-bromo-4-chlorophenyl)-5,6-difluoro-1H-benzimidazole
CID 107989360
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole
CID 107519603
2-(3-bromo-4-fluorophenyl)-6-ethyl-1H-benzimidazole
CID 107954664
sodium;2-bromo-4-chlorophenol;hydride
CID 175199466

Frequently Asked Questions

What is the IUPAC name of 2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol?
The IUPAC name of 2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol (CID 136837284) is 2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol.
What is the SMILES notation for 2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol?
The canonical SMILES for 2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol is Oc1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1Br.
What is the InChIKey of 2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol?
The InChIKey is RJPJBPSOXDNUTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrClN2O/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-chloro-1H-benzimidazol-2-yl)phenol?
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol has a molecular weight of 323.58 g/mol, XLogP of 4.35, 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-chloro-1H-benzimidazol-2-yl)phenol is sourced from PubChem (CID 136837284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).