5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole

C15H10Br2ClFN2 — CID 66088492

IUPAC5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2-c1ccc(Br)cc1
InChIInChI=1S/C15H10Br2ClFN2/c16-9-1-3-10(4-2-9)21-14-8-12(19)11(17)7-13(14)20-15(21)5-6-18/h1-4,7-8H,5-6H2
InChIKeyIRYGWNOGBYFYMF-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.47
Rot. Bonds3

About 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole

5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole (PubChem CID 66088492) has the molecular formula C15H10Br2ClFN2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
PubChem CID66088492
Molecular FormulaC15H10Br2ClFN2
Molecular Weight432.52 g/mol
Exact Mass429.89
IUPAC Name5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Br)nc(CCCl)n2-c1ccc(Br)cc1
InChIInChI=1S/C15H10Br2ClFN2/c16-9-1-3-10(4-2-9)21-14-8-12(19)11(17)7-13(14)20-15(21)5-6-18/h1-4,7-8H,5-6H2
InChIKeyIRYGWNOGBYFYMF-UHFFFAOYSA-N
XLogP5.47
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.47
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-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole
CID 66351096
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
1-(4-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292367
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole?
The IUPAC name of 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole (CID 66088492) is 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole?
The canonical SMILES for 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole is Fc1cc2c(cc1Br)nc(CCCl)n2-c1ccc(Br)cc1.
What is the InChIKey of 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole?
The InChIKey is IRYGWNOGBYFYMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClFN2/c16-9-1-3-10(4-2-9)21-14-8-12(19)11(17)7-13(14)20-15(21)5-6-18/h1-4,7-8H,5-6H2.
What are the key properties of 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole?
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole has a molecular weight of 432.52 g/mol, XLogP of 5.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 66088492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).