4-bromo-5-fluoro-6-nitro-1H-benzimidazole

C7H3BrFN3O2 — CID 162773242

IUPAC4-bromo-5-fluoro-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1cc2[nH]cnc2c(Br)c1F
InChIInChI=1S/C7H3BrFN3O2/c8-5-6(9)4(12(13)14)1-3-7(5)11-2-10-3/h1-2H,(H,10,11)
InChIKeyOEMJTOWSYONFNL-UHFFFAOYSA-N
MW260.02 g/mol
LogP2.37
Rot. Bonds1

About 4-bromo-5-fluoro-6-nitro-1H-benzimidazole

4-bromo-5-fluoro-6-nitro-1H-benzimidazole (PubChem CID 162773242) has the molecular formula C7H3BrFN3O2 and a molecular weight of 260.02 g/mol. Its IUPAC name is 4-bromo-5-fluoro-6-nitro-1H-benzimidazole.

Molecular Properties

Compound Name4-bromo-5-fluoro-6-nitro-1H-benzimidazole
PubChem CID162773242
Molecular FormulaC7H3BrFN3O2
Molecular Weight260.02 g/mol
Exact Mass258.94
IUPAC Name4-bromo-5-fluoro-6-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1cc2[nH]cnc2c(Br)c1F
InChIInChI=1S/C7H3BrFN3O2/c8-5-6(9)4(12(13)14)1-3-7(5)11-2-10-3/h1-2H,(H,10,11)
InChIKeyOEMJTOWSYONFNL-UHFFFAOYSA-N
XLogP2.37
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.02
LogP ≤ 52.37
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'}

Analyze 4-bromo-5-fluoro-6-nitro-1H-benzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-methyl-4-nitro-1H-benzimidazole
CID 46707907
7-nitro-3H-benzimidazole-5-carbonitrile
CID 130772161
6-bromo-8-nitro-3H-quinazolin-4-one
CID 137317043
6-nitro-1H-benzimidazole-5-sulfonyl chloride
CID 137214254
4,7-dinitro-1H-benzimidazole
CID 119091833
methyl 4-amino-3-fluoro-2-(2-methylanilino)-5-nitrobenzoate;methyl 7-fluoro-6-(2-methylanilino)-3H-benzimidazole-5-carboxylate
CID 158329558
N-fluoro-N-(2,3,4-trifluoro-5-nitrophenyl)-7H-purin-2-amine
CID 142671261
2-(6-nitro-1H-benzimidazol-5-yl)acetic acid
CID 137219844
3-bromo-1,4-difluoro-2-methoxy-5-nitrobenzene
CID 170624168
6-bromo-5-fluoro-4-(trifluoromethyl)-1H-benzimidazole
CID 112758220
6-bromo-2-(difluoromethyl)-3-fluoro-4-nitropyridine
CID 130109420
5-bromo-4-(4-bromo-5-fluoro-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 103483958

Frequently Asked Questions

What is the IUPAC name of 4-bromo-5-fluoro-6-nitro-1H-benzimidazole?
The IUPAC name of 4-bromo-5-fluoro-6-nitro-1H-benzimidazole (CID 162773242) is 4-bromo-5-fluoro-6-nitro-1H-benzimidazole.
What is the SMILES notation for 4-bromo-5-fluoro-6-nitro-1H-benzimidazole?
The canonical SMILES for 4-bromo-5-fluoro-6-nitro-1H-benzimidazole is O=[N+]([O-])c1cc2[nH]cnc2c(Br)c1F.
What is the InChIKey of 4-bromo-5-fluoro-6-nitro-1H-benzimidazole?
The InChIKey is OEMJTOWSYONFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3BrFN3O2/c8-5-6(9)4(12(13)14)1-3-7(5)11-2-10-3/h1-2H,(H,10,11).
What are the key properties of 4-bromo-5-fluoro-6-nitro-1H-benzimidazole?
4-bromo-5-fluoro-6-nitro-1H-benzimidazole has a molecular weight of 260.02 g/mol, XLogP of 2.37, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-5-fluoro-6-nitro-1H-benzimidazole is sourced from PubChem (CID 162773242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).