2-(2-bromophenyl)-6-nitro-1H-benzimidazole

C13H8BrN3O2 — CID 43829002

IUPAC2-(2-bromophenyl)-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccccc3Br)[nH]c2c1
InChIInChI=1S/C13H8BrN3O2/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(17(18)19)7-12(11)16-13/h1-7H,(H,15,16)
InChIKeyZDKXQTKZWXMIHW-UHFFFAOYSA-N
MW318.13 g/mol
LogP3.90
Rot. Bonds2

About 2-(2-bromophenyl)-6-nitro-1H-benzimidazole

2-(2-bromophenyl)-6-nitro-1H-benzimidazole (PubChem CID 43829002) has the molecular formula C13H8BrN3O2 and a molecular weight of 318.13 g/mol. Its IUPAC name is 2-(2-bromophenyl)-6-nitro-1H-benzimidazole.

Molecular Properties

Compound Name2-(2-bromophenyl)-6-nitro-1H-benzimidazole
PubChem CID43829002
Molecular FormulaC13H8BrN3O2
Molecular Weight318.13 g/mol
Exact Mass316.98
IUPAC Name2-(2-bromophenyl)-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1ccc2nc(-c3ccccc3Br)[nH]c2c1
InChIInChI=1S/C13H8BrN3O2/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(17(18)19)7-12(11)16-13/h1-7H,(H,15,16)
InChIKeyZDKXQTKZWXMIHW-UHFFFAOYSA-N
XLogP3.90
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.13
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(6-nitro-1H-benzimidazol-2-yl)benzoic acid
CID 767026
2-(2-bromophenyl)-3H-benzimidazol-5-ol
CID 81431199
2-bromo-5-(6-nitro-1H-benzimidazol-2-yl)aniline
CID 91686922
2-(4-chloro-2-methylphenyl)-6-nitro-1H-benzimidazole
CID 162663373
4-[5-[2-(6-nitro-1H-benzimidazol-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzene-1,3-diol
CID 135499486
2-methyl-4-(6-nitro-1H-benzimidazol-2-yl)aniline
CID 91686918
2-(2,5-dimethoxyphenyl)-6-nitro-1H-benzimidazole
CID 110538644
2-[2-(difluoromethyl)-5-fluorophenyl]-6-nitro-1H-benzimidazole
CID 162360652
ethane;2-methyl-6-nitro-1H-benzimidazole
CID 90798805
2-(6-chloro-1H-benzimidazol-2-yl)-4-nitrophenol
CID 136830892
2-(2-amino-4-nitrophenyl)-3H-benzimidazol-5-ol
CID 81429462
2-(1-methylpyridin-1-ium-3-yl)-6-nitro-1H-benzimidazole
CID 11783871

Frequently Asked Questions

What is the IUPAC name of 2-(2-bromophenyl)-6-nitro-1H-benzimidazole?
The IUPAC name of 2-(2-bromophenyl)-6-nitro-1H-benzimidazole (CID 43829002) is 2-(2-bromophenyl)-6-nitro-1H-benzimidazole.
What is the SMILES notation for 2-(2-bromophenyl)-6-nitro-1H-benzimidazole?
The canonical SMILES for 2-(2-bromophenyl)-6-nitro-1H-benzimidazole is O=[N+]([O-])c1ccc2nc(-c3ccccc3Br)[nH]c2c1.
What is the InChIKey of 2-(2-bromophenyl)-6-nitro-1H-benzimidazole?
The InChIKey is ZDKXQTKZWXMIHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrN3O2/c14-10-4-2-1-3-9(10)13-15-11-6-5-8(17(18)19)7-12(11)16-13/h1-7H,(H,15,16).
What are the key properties of 2-(2-bromophenyl)-6-nitro-1H-benzimidazole?
2-(2-bromophenyl)-6-nitro-1H-benzimidazole has a molecular weight of 318.13 g/mol, XLogP of 3.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromophenyl)-6-nitro-1H-benzimidazole is sourced from PubChem (CID 43829002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).