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

C15H10BrCl2FN2 — CID 43667557

IUPAC5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-6-9(16)2-5-13(12)21(15)14-7-10(18)3-4-11(14)19/h2-8H,1H3
InChIKeyLIBWYEMHTJONPU-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.88
Rot. Bonds2

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

5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole (PubChem CID 43667557) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
PubChem CID43667557
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1-c1cc(Cl)ccc1F
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-6-9(16)2-5-13(12)21(15)14-7-10(18)3-4-11(14)19/h2-8H,1H3
InChIKeyLIBWYEMHTJONPU-UHFFFAOYSA-N
XLogP5.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.07
LogP ≤ 55.88
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-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
CID 43667284
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667555
6-bromo-2-(1-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 65346641
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667218
5-bromo-2-(1-chloroethyl)-1-(2,3-dichlorophenyl)benzimidazole
CID 43667186
1-(2-bromophenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 43667170
1-(5-bromo-2-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471130
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-5-methylbenzimidazole
CID 81280966
1-(2-bromo-5-methylphenyl)-5-chloro-2-(1-chloroethyl)benzimidazole
CID 82747136
2-(1-chloroethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43666807
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole (CID 43667557) is 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole is CC(Cl)c1nc2cc(Br)ccc2n1-c1cc(Cl)ccc1F.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole?
The InChIKey is LIBWYEMHTJONPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-6-9(16)2-5-13(12)21(15)14-7-10(18)3-4-11(14)19/h2-8H,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole has a molecular weight of 388.07 g/mol, XLogP of 5.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole is sourced from PubChem (CID 43667557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).