1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole

C15H11BrCl2N2 — CID 43660462

IUPAC1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C15H11BrCl2N2/c1-9-7-10(16)5-6-13(9)20-14(8-17)19-12-4-2-3-11(18)15(12)20/h2-7H,8H2,1H3
InChIKeyKMXLTAUACSTPHB-UHFFFAOYSA-N
MW370.08 g/mol
LogP5.49
Rot. Bonds2

About 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole

1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole (PubChem CID 43660462) has the molecular formula C15H11BrCl2N2 and a molecular weight of 370.08 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
PubChem CID43660462
Molecular FormulaC15H11BrCl2N2
Molecular Weight370.08 g/mol
Exact Mass367.95
IUPAC Name1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCl)nc2cccc(Cl)c21
InChIInChI=1S/C15H11BrCl2N2/c1-9-7-10(16)5-6-13(9)20-14(8-17)19-12-4-2-3-11(18)15(12)20/h2-7H,8H2,1H3
InChIKeyKMXLTAUACSTPHB-UHFFFAOYSA-N
XLogP5.49
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500370.08
LogP ≤ 55.49
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)-6,7-difluorobenzimidazole
CID 63546819
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935
1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 107607310
7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
CID 79766177
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole (CID 43660462) is 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole is Cc1cc(Br)ccc1-n1c(CCl)nc2cccc(Cl)c21.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is KMXLTAUACSTPHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2/c1-9-7-10(16)5-6-13(9)20-14(8-17)19-12-4-2-3-11(18)15(12)20/h2-7H,8H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole?
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole has a molecular weight of 370.08 g/mol, XLogP of 5.49, 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)-7-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 43660462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).