2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole

C15H11Br2ClN2 — CID 107601483

IUPAC2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1c(Br)cccc1Br
InChIInChI=1S/C15H11Br2ClN2/c1-9-5-6-13-12(7-9)19-14(8-18)20(13)15-10(16)3-2-4-11(15)17/h2-7H,8H2,1H3
InChIKeyRVUBFNJZHJNUIO-UHFFFAOYSA-N
MW414.53 g/mol
LogP5.60
Rot. Bonds2

About 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole

2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole (PubChem CID 107601483) has the molecular formula C15H11Br2ClN2 and a molecular weight of 414.53 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
PubChem CID107601483
Molecular FormulaC15H11Br2ClN2
Molecular Weight414.53 g/mol
Exact Mass411.90
IUPAC Name2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
SMILESCc1ccc2c(c1)nc(CCl)n2-c1c(Br)cccc1Br
InChIInChI=1S/C15H11Br2ClN2/c1-9-5-6-13-12(7-9)19-14(8-18)20(13)15-10(16)3-2-4-11(15)17/h2-7H,8H2,1H3
InChIKeyRVUBFNJZHJNUIO-UHFFFAOYSA-N
XLogP5.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.53
LogP ≤ 55.60
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-methylphenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 43660921
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
1-(5-bromo-2,4-difluorophenyl)-2-(chloromethyl)-5-methylbenzimidazole
CID 102854313
1-(2-bromo-5-methylphenyl)-2-(chloromethyl)benzimidazole
CID 82766784
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
5-bromo-1-(2-bromo-6-fluorophenyl)-2-(chloromethyl)-6-fluorobenzimidazole
CID 107601623
3-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]benzonitrile
CID 43660574
2-(chloromethyl)-1-(4-methoxyphenyl)-5-methylbenzimidazole
CID 43660372
2-(chloromethyl)-5-methyl-1-(3,4,5-trifluorophenyl)benzimidazole
CID 63547219
2-(chloromethyl)-5-methyl-1-(2-propan-2-ylphenyl)benzimidazole
CID 43660844
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
2-[2-(chloromethyl)-5-methylbenzimidazol-1-yl]-N,N-dimethylaniline
CID 106760326

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole (CID 107601483) is 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole is Cc1ccc2c(c1)nc(CCl)n2-c1c(Br)cccc1Br.
What is the InChIKey of 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole?
The InChIKey is RVUBFNJZHJNUIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Br2ClN2/c1-9-5-6-13-12(7-9)19-14(8-18)20(13)15-10(16)3-2-4-11(15)17/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole?
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole has a molecular weight of 414.53 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole is sourced from PubChem (CID 107601483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).