6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole

C15H10Br2ClFN2 — CID 116738653

IUPAC6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
SMILESFc1cc2nc(CCCl)n(-c3cccc(Br)c3)c2cc1Br
InChIInChI=1S/C15H10Br2ClFN2/c16-9-2-1-3-10(6-9)21-14-7-11(17)12(19)8-13(14)20-15(21)4-5-18/h1-3,6-8H,4-5H2
InChIKeyCLLYIFCOETXTFF-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.47
Rot. Bonds3

About 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole

6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole (PubChem CID 116738653) has the molecular formula C15H10Br2ClFN2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
PubChem CID116738653
Molecular FormulaC15H10Br2ClFN2
Molecular Weight432.52 g/mol
Exact Mass429.89
IUPAC Name6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
SMILESFc1cc2nc(CCCl)n(-c3cccc(Br)c3)c2cc1Br
InChIInChI=1S/C15H10Br2ClFN2/c16-9-2-1-3-10(6-9)21-14-7-11(17)12(19)8-13(14)20-15(21)4-5-18/h1-3,6-8H,4-5H2
InChIKeyCLLYIFCOETXTFF-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

1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
1-(3-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 63545191
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
1-(3-bromophenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292847
5-bromo-2-(2-chloroethyl)-6-fluoro-1-thiophen-3-ylbenzimidazole
CID 66351096
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 107601606
2-(2-chloroethyl)-5-fluoro-1-(3-fluorophenyl)benzimidazole
CID 43666727
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole?
The IUPAC name of 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole (CID 116738653) is 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole?
The canonical SMILES for 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole is Fc1cc2nc(CCCl)n(-c3cccc(Br)c3)c2cc1Br.
What is the InChIKey of 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole?
The InChIKey is CLLYIFCOETXTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClFN2/c16-9-2-1-3-10(6-9)21-14-7-11(17)12(19)8-13(14)20-15(21)4-5-18/h1-3,6-8H,4-5H2.
What are the key properties of 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole?
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-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 6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 116738653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).