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

C15H10BrCl2FN2 — CID 115471109

IUPAC1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1-c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-5-3-10(18)7-14(12)21(15)13-6-9(16)2-4-11(13)19/h2-8H,1H3
InChIKeyPSWXXNQXAWGOSX-UHFFFAOYSA-N
MW388.07 g/mol
LogP5.88
Rot. Bonds2

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

1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole (PubChem CID 115471109) has the molecular formula C15H10BrCl2FN2 and a molecular weight of 388.07 g/mol. Its IUPAC name is 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
PubChem CID115471109
Molecular FormulaC15H10BrCl2FN2
Molecular Weight388.07 g/mol
Exact Mass385.94
IUPAC Name1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
SMILESCC(Cl)c1nc2ccc(Cl)cc2n1-c1cc(Br)ccc1F
InChIInChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-5-3-10(18)7-14(12)21(15)13-6-9(16)2-4-11(13)19/h2-8H,1H3
InChIKeyPSWXXNQXAWGOSX-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-2-fluorophenyl)benzimidazole
CID 65346641
1-(5-bromo-2-methylphenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471130
5-bromo-2-(1-chloroethyl)-1-(5-chloro-2-fluorophenyl)benzimidazole
CID 43667557
1-(2-bromo-4-chlorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole
CID 115471762
1-(2-bromo-4-chlorophenyl)-2-(1-chloroethyl)-6-fluorobenzimidazole
CID 81279916
6-chloro-2-(1-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 115471164
6-chloro-2-(1-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 115470923
6-bromo-2-(1-chloroethyl)-1-(3-chloro-5-fluorophenyl)benzimidazole
CID 107368455
6-bromo-2-(1-chloroethyl)-1-(4-chloro-3-fluorophenyl)benzimidazole
CID 65346315
6-chloro-2-(1-chloroethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601547
6-chloro-2-(1-chloroethyl)-1-(2,6-difluorophenyl)benzimidazole
CID 115470912
5-bromo-2-(1-chloroethyl)-1-(2,4-dichlorophenyl)benzimidazole
CID 43667284

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole?
The IUPAC name of 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole (CID 115471109) is 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole?
The canonical SMILES for 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole is CC(Cl)c1nc2ccc(Cl)cc2n1-c1cc(Br)ccc1F.
What is the InChIKey of 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole?
The InChIKey is PSWXXNQXAWGOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2FN2/c1-8(17)15-20-12-5-3-10(18)7-14(12)21(15)13-6-9(16)2-4-11(13)19/h2-8H,1H3.
What are the key properties of 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole?
1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)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 1-(5-bromo-2-fluorophenyl)-6-chloro-2-(1-chloroethyl)benzimidazole is sourced from PubChem (CID 115471109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).