1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole

C14H8BrCl2FN2 — CID 66111396

IUPAC1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Cl)nc(CCl)n2-c1ccccc1Br
InChIInChI=1S/C14H8BrCl2FN2/c15-8-3-1-2-4-12(8)20-13-6-10(18)9(17)5-11(13)19-14(20)7-16/h1-6H,7H2
InChIKeyZPEGFGKNZXJIHY-UHFFFAOYSA-N
MW374.04 g/mol
LogP5.32
Rot. Bonds2

About 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole

1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole (PubChem CID 66111396) has the molecular formula C14H8BrCl2FN2 and a molecular weight of 374.04 g/mol. Its IUPAC name is 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
PubChem CID66111396
Molecular FormulaC14H8BrCl2FN2
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
SMILESFc1cc2c(cc1Cl)nc(CCl)n2-c1ccccc1Br
InChIInChI=1S/C14H8BrCl2FN2/c15-8-3-1-2-4-12(8)20-13-6-10(18)9(17)5-11(13)19-14(20)7-16/h1-6H,7H2
InChIKeyZPEGFGKNZXJIHY-UHFFFAOYSA-N
XLogP5.32
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500374.04
LogP ≤ 55.32
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-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 107637715
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
CID 116738729
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
5-bromo-2-(chloromethyl)-1-(2-chloro-4-methylphenyl)-6-fluorobenzimidazole
CID 66088497
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
CID 116738695
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(2-fluorophenyl)benzimidazole
CID 66088269
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
The IUPAC name of 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole (CID 66111396) is 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole.
What is the SMILES notation for 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
The canonical SMILES for 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole is Fc1cc2c(cc1Cl)nc(CCl)n2-c1ccccc1Br.
What is the InChIKey of 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
The InChIKey is ZPEGFGKNZXJIHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FN2/c15-8-3-1-2-4-12(8)20-13-6-10(18)9(17)5-11(13)19-14(20)7-16/h1-6H,7H2.
What are the key properties of 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole?
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole has a molecular weight of 374.04 g/mol, XLogP of 5.32, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole is sourced from PubChem (CID 66111396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).