5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole

C15H11BrCl2N2O — CID 43660441

IUPAC5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
SMILESCOc1ccc(Cl)cc1-n1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrCl2N2O/c1-21-14-5-3-10(18)7-13(14)20-12-4-2-9(16)6-11(12)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyHJPXHPJMGRWGTD-UHFFFAOYSA-N
MW386.08 g/mol
LogP5.19
Rot. Bonds3

About 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole

5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole (PubChem CID 43660441) has the molecular formula C15H11BrCl2N2O and a molecular weight of 386.08 g/mol. Its IUPAC name is 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
PubChem CID43660441
Molecular FormulaC15H11BrCl2N2O
Molecular Weight386.08 g/mol
Exact Mass383.94
IUPAC Name5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
SMILESCOc1ccc(Cl)cc1-n1c(CCl)nc2cc(Br)ccc21
InChIInChI=1S/C15H11BrCl2N2O/c1-21-14-5-3-10(18)7-13(14)20-12-4-2-9(16)6-11(12)19-15(20)8-17/h2-7H,8H2,1H3
InChIKeyHJPXHPJMGRWGTD-UHFFFAOYSA-N
XLogP5.19
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.08
LogP ≤ 55.19
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-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 63546504
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
CID 81275644
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
1-(4-bromophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 43659727
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831
1-(4-bromo-2,5-difluorophenyl)-5-chloro-2-(chloromethyl)benzimidazole
CID 107614154
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511
2-[6-bromo-2-(chloromethyl)benzimidazol-1-yl]-4-chlorobenzonitrile
CID 65346123
1-(4-bromo-2-chlorophenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43661001
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
CID 81274666

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole (CID 43660441) is 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole is COc1ccc(Cl)cc1-n1c(CCl)nc2cc(Br)ccc21.
What is the InChIKey of 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is HJPXHPJMGRWGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrCl2N2O/c1-21-14-5-3-10(18)7-13(14)20-12-4-2-9(16)6-11(12)19-15(20)8-17/h2-7H,8H2,1H3.
What are the key properties of 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole?
5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole has a molecular weight of 386.08 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 43660441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).