2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile

C15H8BrClFN3 — CID 116738695

IUPAC2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H8BrClFN3/c16-10-5-14-12(6-11(10)18)20-15(7-17)21(14)13-4-2-1-3-9(13)8-19/h1-6H,7H2
InChIKeyULMHJNGORWBKLY-UHFFFAOYSA-N
MW364.61 g/mol
LogP4.54
Rot. Bonds2

About 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile

2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile (PubChem CID 116738695) has the molecular formula C15H8BrClFN3 and a molecular weight of 364.61 g/mol. Its IUPAC name is 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile.

Molecular Properties

Compound Name2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
PubChem CID116738695
Molecular FormulaC15H8BrClFN3
Molecular Weight364.61 g/mol
Exact Mass362.96
IUPAC Name2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
SMILESN#Cc1ccccc1-n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H8BrClFN3/c16-10-5-14-12(6-11(10)18)20-15(7-17)21(14)13-4-2-1-3-9(13)8-19/h1-6H,7H2
InChIKeyULMHJNGORWBKLY-UHFFFAOYSA-N
XLogP4.54
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.61
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile 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-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
2-[5-bromo-2-(chloromethyl)benzimidazol-1-yl]benzonitrile
CID 43660555
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
6-bromo-1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738743
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-4-chlorobenzonitrile
CID 65346123
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
CID 103593316
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-5-fluorobenzonitrile
CID 82684234

Frequently Asked Questions

What is the IUPAC name of 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile?
The IUPAC name of 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile (CID 116738695) is 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile.
What is the SMILES notation for 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile?
The canonical SMILES for 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile is N#Cc1ccccc1-n1c(CCl)nc2cc(F)c(Br)cc21.
What is the InChIKey of 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile?
The InChIKey is ULMHJNGORWBKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8BrClFN3/c16-10-5-14-12(6-11(10)18)20-15(7-17)21(14)13-4-2-1-3-9(13)8-19/h1-6H,7H2.
What are the key properties of 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile?
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile has a molecular weight of 364.61 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile is sourced from PubChem (CID 116738695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).