6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole

C15H11BrClFN2 — CID 116738729

IUPAC6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H11BrClFN2/c1-9-4-2-3-5-13(9)20-14-6-10(16)11(18)7-12(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyZMXRWUTXIWUBHY-UHFFFAOYSA-N
MW353.62 g/mol
LogP4.97
Rot. Bonds2

About 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole

6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole (PubChem CID 116738729) has the molecular formula C15H11BrClFN2 and a molecular weight of 353.62 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
PubChem CID116738729
Molecular FormulaC15H11BrClFN2
Molecular Weight353.62 g/mol
Exact Mass351.98
IUPAC Name6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole
SMILESCc1ccccc1-n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C15H11BrClFN2/c1-9-4-2-3-5-13(9)20-14-6-10(16)11(18)7-12(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyZMXRWUTXIWUBHY-UHFFFAOYSA-N
XLogP4.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.62
LogP ≤ 54.97
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-1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738743
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]benzonitrile
CID 116738695
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylphenyl)benzimidazole
CID 103593360
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
2-(chloromethyl)-1-(2-ethylphenyl)-5-fluoro-6-methylbenzimidazole
CID 103593316
1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)-6-methylbenzimidazole
CID 107593132
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 107637715

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole (CID 116738729) is 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole is Cc1ccccc1-n1c(CCl)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole?
The InChIKey is ZMXRWUTXIWUBHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2/c1-9-4-2-3-5-13(9)20-14-6-10(16)11(18)7-12(14)19-15(20)8-17/h2-7H,8H2,1H3.
What are the key properties of 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole?
6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole has a molecular weight of 353.62 g/mol, XLogP of 4.97, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-5-fluoro-1-(2-methylphenyl)benzimidazole is sourced from PubChem (CID 116738729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).