6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole

C15H10BrCl2FN2 — CID 107368455

IUPAC6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-13-3-2-9(16)4-14(13)21(15)12-6-10(18)5-11(19)7-12/h2-8H,1H3
InChIKeyDTFPLUJHINEWEV-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.88
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole

6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole (PubChem CID 107368455) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole
PubChem CID107368455
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Br)cc2n1-c1cc(F)cc(Cl)c1
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-13-3-2-9(16)4-14(13)21(15)12-6-10(18)5-11(19)7-12/h2-8H,1H3
InChIKeyDTFPLUJHINEWEV-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

6-bromo-2-(1-chloroethyl)-1-(4-chloro-3-fluorophenyl)benzimidazole
CID 65346315
6-bromo-2-(1-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 65346641
6-bromo-1-(3-bromo-5-methylphenyl)-2-(1-chloroethyl)benzimidazole
CID 107576139
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471109
5-bromo-2-(1-chloroethyl)-1-(3-chlorophenyl)-6-fluorobenzimidazole
CID 66086140
1-(5-bromo-2-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471130
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
CID 81279916
1-(3-bromo-4-fluorophenyl)-2-(1-chloroethyl)-6-methylbenzimidazole
CID 104780064
5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557
1-(4-bromo-3-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471037
6-bromo-2-(1-chloroethyl)-3-(3,5-difluorophenyl)imidazo[4,5-b]pyridine
CID 79280598
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole (CID 107368455) is 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole is CC(Cl)c1nc2ccc(Br)cc2n1-c1cc(F)cc(Cl)c1.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole?
The InChIKey is DTFPLUJHINEWEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-13-3-2-9(16)4-14(13)21(15)12-6-10(18)5-11(19)7-12/h2-8H,1H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole?
6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-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 6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole is sourced from PubChem (CID 107368455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).