6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole

C11H6BrClN2O — CID 13004842

IUPAC6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(Br)cc3[nH]2)o1
InChIInChI=1S/C11H6BrClN2O/c12-6-1-2-7-8(5-6)15-11(14-7)9-3-4-10(13)16-9/h1-5H,(H,14,15)
InChIKeyNPWCBLDYRJLDTM-UHFFFAOYSA-N
MW297.54 g/mol
LogP4.24
Rot. Bonds1

About 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole

6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole (PubChem CID 13004842) has the molecular formula C11H6BrClN2O and a molecular weight of 297.54 g/mol. Its IUPAC name is 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
PubChem CID13004842
Molecular FormulaC11H6BrClN2O
Molecular Weight297.54 g/mol
Exact Mass295.94
IUPAC Name6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(Br)cc3[nH]2)o1
InChIInChI=1S/C11H6BrClN2O/c12-6-1-2-7-8(5-6)15-11(14-7)9-3-4-10(13)16-9/h1-5H,(H,14,15)
InChIKeyNPWCBLDYRJLDTM-UHFFFAOYSA-N
XLogP4.24
TPSA41.82 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.54
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

6-bromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 64723542
2-(5-bromofuran-2-yl)-6-fluoro-1H-benzimidazole
CID 13004835
6-bromo-2-(2,4-dibromophenyl)-1H-benzimidazole
CID 107939488
6-bromo-2-(3-bromophenyl)-1H-benzimidazole
CID 64722123
6-bromo-2-(3-chloro-4-fluorophenyl)-1H-benzimidazole
CID 71815925
6-bromo-2-(2-chloro-3-fluorophenyl)-1H-benzimidazole
CID 81454880
2-(6-bromo-1H-benzimidazol-2-yl)-4,6-dichloroaniline
CID 54919605
2-(5-bromofuran-2-yl)-6-(trifluoromethyl)-1H-benzimidazole
CID 112730249
6-bromo-2-(5-chloro-2-methoxyphenyl)-1H-benzimidazole
CID 64722322
6-bromo-2-(2-methylphenyl)-1H-benzimidazole
CID 64723328
6-bromo-2-(2,5-dibromothiophen-3-yl)-1H-benzimidazole
CID 107963330
6-bromo-2-(2-bromo-5-methoxyphenyl)-1H-benzimidazole
CID 64724147

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole?
The IUPAC name of 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole (CID 13004842) is 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole.
What is the SMILES notation for 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole?
The canonical SMILES for 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole is Clc1ccc(-c2nc3ccc(Br)cc3[nH]2)o1.
What is the InChIKey of 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole?
The InChIKey is NPWCBLDYRJLDTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrClN2O/c12-6-1-2-7-8(5-6)15-11(14-7)9-3-4-10(13)16-9/h1-5H,(H,14,15).
What are the key properties of 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole?
6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole has a molecular weight of 297.54 g/mol, XLogP of 4.24, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(5-chlorofuran-2-yl)-1H-benzimidazole is sourced from PubChem (CID 13004842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).