5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole

C15H11BrClFN2O — CID 66085948

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3cc(Br)c(F)cc32)cc1
InChIInChI=1S/C15H11BrClFN2O/c1-21-10-4-2-9(3-5-10)20-14-7-12(18)11(16)6-13(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyMHFIUAXRQHSWBO-UHFFFAOYSA-N
MW369.62 g/mol
LogP4.67
Rot. Bonds3

About 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole (PubChem CID 66085948) has the molecular formula C15H11BrClFN2O and a molecular weight of 369.62 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
PubChem CID66085948
Molecular FormulaC15H11BrClFN2O
Molecular Weight369.62 g/mol
Exact Mass367.97
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
SMILESCOc1ccc(-n2c(CCl)nc3cc(Br)c(F)cc32)cc1
InChIInChI=1S/C15H11BrClFN2O/c1-21-10-4-2-9(3-5-10)20-14-7-12(18)11(16)6-13(14)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyMHFIUAXRQHSWBO-UHFFFAOYSA-N
XLogP4.67
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.62
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-methoxybenzimidazole
CID 104780055
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
5-bromo-2-(chloromethyl)-1-(3-ethylphenyl)-6-fluorobenzimidazole
CID 66088111
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
5-bromo-1-(3-chloro-5-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107368490
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-fluoro-2-methylphenyl)benzimidazole
CID 66087694
2-(chloromethyl)-5-fluoro-1-(4-iodophenyl)-6-methoxybenzimidazole
CID 63597393
5-bromo-2-(chloromethyl)-1-(2,5-dichlorophenyl)-6-fluorobenzimidazole
CID 66087106

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole (CID 66085948) is 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole is COc1ccc(-n2c(CCl)nc3cc(Br)c(F)cc32)cc1.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole?
The InChIKey is MHFIUAXRQHSWBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrClFN2O/c1-21-10-4-2-9(3-5-10)20-14-7-12(18)11(16)6-13(14)19-15(20)8-17/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole has a molecular weight of 369.62 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole is sourced from PubChem (CID 66085948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).