5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole

C15H10BrClF2N2 — CID 66088269

IUPAC5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2-c1ccccc1F
InChIInChI=1S/C15H10BrClF2N2/c16-9-7-12-14(8-11(9)19)21(15(20-12)5-6-17)13-4-2-1-3-10(13)18/h1-4,7-8H,5-6H2
InChIKeyCREKFPQLUJKFHW-UHFFFAOYSA-N
MW371.61 g/mol
LogP4.85
Rot. Bonds3

About 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole

5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole (PubChem CID 66088269) has the molecular formula C15H10BrClF2N2 and a molecular weight of 371.61 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
PubChem CID66088269
Molecular FormulaC15H10BrClF2N2
Molecular Weight371.61 g/mol
Exact Mass369.97
IUPAC Name5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2-c1ccccc1F
InChIInChI=1S/C15H10BrClF2N2/c16-9-7-12-14(8-11(9)19)21(15(20-12)5-6-17)13-4-2-1-3-10(13)18/h1-4,7-8H,5-6H2
InChIKeyCREKFPQLUJKFHW-UHFFFAOYSA-N
XLogP4.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.61
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914
2-(2-chloroethyl)-1-(2-fluorophenyl)-5-methylbenzimidazole
CID 43666918
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole
CID 66351096
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole (CID 66088269) is 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole is Fc1cc2c(cc1Br)nc(CCCl)n2-c1ccccc1F.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole?
The InChIKey is CREKFPQLUJKFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2/c16-9-7-12-14(8-11(9)19)21(15(20-12)5-6-17)13-4-2-1-3-10(13)18/h1-4,7-8H,5-6H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole has a molecular weight of 371.61 g/mol, XLogP of 4.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole is sourced from PubChem (CID 66088269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).