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

C15H10BrCl2FN2 — CID 66086140

IUPAC5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
SMILESCC(Cl)c1nc2cc(Br)c(F)cc2n1-c1cccc(Cl)c1
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-13-6-11(16)12(19)7-14(13)21(15)10-4-2-3-9(18)5-10/h2-8H,1H3
InChIKeyUFPFXXWFYHMQRD-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.88
Rot. Bonds2

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

5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole (PubChem CID 66086140) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
PubChem CID66086140
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
SMILESCC(Cl)c1nc2cc(Br)c(F)cc2n1-c1cccc(Cl)c1
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-13-6-11(16)12(19)7-14(13)21(15)10-4-2-3-9(18)5-10/h2-8H,1H3
InChIKeyUFPFXXWFYHMQRD-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)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66088494
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-fluoro-6-methylbenzimidazole
CID 103593289
2-(1-chloroethyl)-1-(3-chlorophenyl)benzimidazole
CID 43666718
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(3-methylphenyl)benzimidazole
CID 66110811
2-(1-chloroethyl)-1-(3-chlorophenyl)-5-methylbenzimidazole
CID 43666722
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(2-iodophenyl)benzimidazole
CID 66087496
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
CID 104780064
5-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601498
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
5-chloro-2-(1-chloroethyl)-1-phenylbenzimidazole
CID 43667015
2-(1-chloroethyl)-3-(3-chlorophenyl)benzimidazole-5-carbonitrile
CID 104715320
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-4-fluorobenzimidazole
CID 104780060

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole (CID 66086140) is 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole is CC(Cl)c1nc2cc(Br)c(F)cc2n1-c1cccc(Cl)c1.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
The InChIKey is UFPFXXWFYHMQRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-13-6-11(16)12(19)7-14(13)21(15)10-4-2-3-9(18)5-10/h2-8H,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole?
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole 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-(3-chlorophenyl)-6-fluorobenzimidazole is sourced from PubChem (CID 66086140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).