1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole

C15H10BrClF2N2 — CID 63546819

IUPAC1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H10BrClF2N2/c1-8-6-9(16)2-5-12(8)21-13(7-17)20-11-4-3-10(18)14(19)15(11)21/h2-6H,7H2,1H3
InChIKeyZKODITNSLQWQDY-UHFFFAOYSA-N
MW371.61 g/mol
LogP5.11
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole

1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole (PubChem CID 63546819) has the molecular formula C15H10BrClF2N2 and a molecular weight of 371.61 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
PubChem CID63546819
Molecular FormulaC15H10BrClF2N2
Molecular Weight371.61 g/mol
Exact Mass369.97
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C15H10BrClF2N2/c1-8-6-9(16)2-5-12(8)21-13(7-17)20-11-4-3-10(18)14(19)15(11)21/h2-6H,7H2,1H3
InChIKeyZKODITNSLQWQDY-UHFFFAOYSA-N
XLogP5.11
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.61
LogP ≤ 55.11
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-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 81281428
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63545740
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)-1-(2-ethylphenyl)-6,7-difluorobenzimidazole
CID 63547054
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79046056
6-bromo-1-(5-bromo-4-fluoro-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 107593137
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082
2-(chloromethyl)-1-(4-ethylphenyl)-6,7-difluorobenzimidazole
CID 63546704

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole (CID 63546819) is 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole is Cc1cc(Br)ccc1-n1c(CCl)nc2ccc(F)c(F)c21.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
The InChIKey is ZKODITNSLQWQDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrClF2N2/c1-8-6-9(16)2-5-12(8)21-13(7-17)20-11-4-3-10(18)14(19)15(11)21/h2-6H,7H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole?
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole has a molecular weight of 371.61 g/mol, XLogP of 5.11, 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-methylphenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole is sourced from PubChem (CID 63546819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).