1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole

C16H14BrClN2O — CID 63546504

IUPAC1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
SMILESCOc1ccc(Br)cc1-n1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C16H14BrClN2O/c1-10-3-5-13-12(7-10)19-16(9-18)20(13)14-8-11(17)4-6-15(14)21-2/h3-8H,9H2,1-2H3
InChIKeyOPGXLEBWRYNAJO-UHFFFAOYSA-N
MW365.66 g/mol
LogP4.84
Rot. Bonds3

About 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole

1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole (PubChem CID 63546504) has the molecular formula C16H14BrClN2O and a molecular weight of 365.66 g/mol. Its IUPAC name is 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
PubChem CID63546504
Molecular FormulaC16H14BrClN2O
Molecular Weight365.66 g/mol
Exact Mass364.00
IUPAC Name1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
SMILESCOc1ccc(Br)cc1-n1c(CCl)nc2cc(C)ccc21
InChIInChI=1S/C16H14BrClN2O/c1-10-3-5-13-12(7-10)19-16(9-18)20(13)14-8-11(17)4-6-15(14)21-2/h3-8H,9H2,1-2H3
InChIKeyOPGXLEBWRYNAJO-UHFFFAOYSA-N
XLogP4.84
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.66
LogP ≤ 54.84
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

5-bromo-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 43660441
1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
1-(3-chloro-4-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660941
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
2-ethyl-1-(2-methoxy-5-methylphenyl)benzimidazol-5-amine
CID 62506691
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
2-(chloromethyl)-1-(2,5-dichlorophenyl)-5-methylbenzimidazole
CID 43660436
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole?
The IUPAC name of 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole (CID 63546504) is 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole.
What is the SMILES notation for 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole?
The canonical SMILES for 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole is COc1ccc(Br)cc1-n1c(CCl)nc2cc(C)ccc21.
What is the InChIKey of 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole?
The InChIKey is OPGXLEBWRYNAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2O/c1-10-3-5-13-12(7-10)19-16(9-18)20(13)14-8-11(17)4-6-15(14)21-2/h3-8H,9H2,1-2H3.
What are the key properties of 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole?
1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole has a molecular weight of 365.66 g/mol, XLogP of 4.84, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methoxyphenyl)-2-(chloromethyl)-5-methylbenzimidazole is sourced from PubChem (CID 63546504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).