7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole

C14H8Br2Cl2N2 — CID 107601564

IUPAC7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1-c1c(Br)cccc1Br
InChIInChI=1S/C14H8Br2Cl2N2/c15-8-3-1-4-9(16)13(8)20-12(7-17)19-11-6-2-5-10(18)14(11)20/h1-6H,7H2
InChIKeyQFGPFZONHSPRTN-UHFFFAOYSA-N
MW434.95 g/mol
LogP5.94
Rot. Bonds2

About 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole

7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole (PubChem CID 107601564) has the molecular formula C14H8Br2Cl2N2 and a molecular weight of 434.95 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
PubChem CID107601564
Molecular FormulaC14H8Br2Cl2N2
Molecular Weight434.95 g/mol
Exact Mass431.84
IUPAC Name7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1-c1c(Br)cccc1Br
InChIInChI=1S/C14H8Br2Cl2N2/c15-8-3-1-4-9(16)13(8)20-12(7-17)19-11-6-2-5-10(18)14(11)20/h1-6H,7H2
InChIKeyQFGPFZONHSPRTN-UHFFFAOYSA-N
XLogP5.94
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500434.95
LogP ≤ 55.94
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-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
2-(2-chloroethyl)-1-(2,6-dibromophenyl)-7-methylbenzimidazole
CID 107601522
1-(2-bromo-6-fluorophenyl)-5,6-dichloro-2-(chloromethyl)benzimidazole
CID 107601575
6-bromo-2-(chloromethyl)-1-(2,6-dibromophenyl)-5-fluorobenzimidazole
CID 107601497
2-(chloromethyl)-1-(2,6-dibromophenyl)-5-methylbenzimidazole
CID 107601483
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
CID 79766177
1-[(2-bromophenyl)methyl]-7-chloro-2-(2-chloroethyl)benzimidazole
CID 63545046
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole (CID 107601564) is 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole is ClCc1nc2cccc(Cl)c2n1-c1c(Br)cccc1Br.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole?
The InChIKey is QFGPFZONHSPRTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2N2/c15-8-3-1-4-9(16)13(8)20-12(7-17)19-11-6-2-5-10(18)14(11)20/h1-6H,7H2.
What are the key properties of 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole?
7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole has a molecular weight of 434.95 g/mol, XLogP of 5.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole is sourced from PubChem (CID 107601564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).