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

C15H10Br2ClFN2 — CID 107601606

IUPAC5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
SMILESFc1cccc(Br)c1-n1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H10Br2ClFN2/c16-9-4-5-13-12(8-9)20-14(6-7-18)21(13)15-10(17)2-1-3-11(15)19/h1-5,8H,6-7H2
InChIKeyDFILLPXJYAJQBT-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.47
Rot. Bonds3

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

5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole (PubChem CID 107601606) has the molecular formula C15H10Br2ClFN2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
PubChem CID107601606
Molecular FormulaC15H10Br2ClFN2
Molecular Weight432.52 g/mol
Exact Mass429.89
IUPAC Name5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole
SMILESFc1cccc(Br)c1-n1c(CCCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H10Br2ClFN2/c16-9-4-5-13-12(8-9)20-14(6-7-18)21(13)15-10(17)2-1-3-11(15)19/h1-5,8H,6-7H2
InChIKeyDFILLPXJYAJQBT-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-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 43667223
6-bromo-1-(3-bromophenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 116738653
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666840
5-bromo-1-(2,6-difluorophenyl)benzimidazol-2-amine
CID 43661750
1-(3-bromophenyl)-5-chloro-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66109821
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
5-bromo-2-(2-chloroethyl)-1-(3,4-dichlorophenyl)benzimidazole
CID 43666790
1-(3-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-fluorobenzimidazole
CID 107637640

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole (CID 107601606) is 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole is Fc1cccc(Br)c1-n1c(CCCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
The InChIKey is DFILLPXJYAJQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Br2ClFN2/c16-9-4-5-13-12(8-9)20-14(6-7-18)21(13)15-10(17)2-1-3-11(15)19/h1-5,8H,6-7H2.
What are the key properties of 5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole?
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole 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-(2-bromo-6-fluorophenyl)-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 107601606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).