1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole

C14H8BrCl2FN2 — CID 43661001

IUPAC1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2-c1ccc(Br)cc1Cl
InChIInChI=1S/C14H8BrCl2FN2/c15-8-1-3-12(10(17)5-8)20-13-4-2-9(18)6-11(13)19-14(20)7-16/h1-6H,7H2
InChIKeyVRBUAQMETPPEER-UHFFFAOYSA-N
MW374.04 g/mol
LogP5.32
Rot. Bonds2

About 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole

1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole (PubChem CID 43661001) has the molecular formula C14H8BrCl2FN2 and a molecular weight of 374.04 g/mol. Its IUPAC name is 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
PubChem CID43661001
Molecular FormulaC14H8BrCl2FN2
Molecular Weight374.04 g/mol
Exact Mass371.92
IUPAC Name1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
SMILESFc1ccc2c(c1)nc(CCl)n2-c1ccc(Br)cc1Cl
InChIInChI=1S/C14H8BrCl2FN2/c15-8-1-3-12(10(17)5-8)20-13-4-2-9(18)6-11(13)19-14(20)7-16/h1-6H,7H2
InChIKeyVRBUAQMETPPEER-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-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
2-(chloromethyl)-5-fluoro-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660513
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
5-bromo-1-(2-bromo-4-fluorophenyl)-2-(2-chloroethyl)benzimidazole
CID 43667223
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111785
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-5-fluorobenzimidazole
CID 107637855
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
3-bromo-4-[2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
CID 107791843
2-(chloromethyl)-5-fluoro-1-(2,3,5-trifluorophenyl)benzimidazole
CID 62811846
5-chloro-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43659708

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
The IUPAC name of 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole (CID 43661001) is 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
The canonical SMILES for 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole is Fc1ccc2c(c1)nc(CCl)n2-c1ccc(Br)cc1Cl.
What is the InChIKey of 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
The InChIKey is VRBUAQMETPPEER-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl2FN2/c15-8-1-3-12(10(17)5-8)20-13-4-2-9(18)6-11(13)19-14(20)7-16/h1-6H,7H2.
What are the key properties of 1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole?
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-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-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 43661001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).