4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole

C14H8Br2Cl2N2 — CID 104837784

IUPAC4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1-c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2Cl2N2/c15-8-4-5-9(16)12(6-8)20-11-3-1-2-10(18)14(11)19-13(20)7-17/h1-6H,7H2
InChIKeyRJOUDYGQUCLBTR-UHFFFAOYSA-N
MW434.95 g/mol
LogP5.94
Rot. Bonds2

About 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole

4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole (PubChem CID 104837784) has the molecular formula C14H8Br2Cl2N2 and a molecular weight of 434.95 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
PubChem CID104837784
Molecular FormulaC14H8Br2Cl2N2
Molecular Weight434.95 g/mol
Exact Mass431.84
IUPAC Name4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
SMILESClCc1nc2c(Cl)cccc2n1-c1cc(Br)ccc1Br
InChIInChI=1S/C14H8Br2Cl2N2/c15-8-4-5-9(16)12(6-8)20-11-3-1-2-10(18)14(11)19-13(20)7-17/h1-6H,7H2
InChIKeyRJOUDYGQUCLBTR-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-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole
CID 104837709
1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838473
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
1-(2-bromo-5-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107638125
1-(3-bromo-4-methoxyphenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838359
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476
5-(chloromethyl)-6-(2,5-dibromophenyl)-1,3-dimethylimidazo[4,5-d]pyrazole
CID 79297324
1-(4-bromo-2,3-dichlorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107791831
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831
2-[4-chloro-2-(chloromethyl)benzimidazol-1-yl]-6-methylbenzonitrile
CID 107799721

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole (CID 104837784) is 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole is ClCc1nc2c(Cl)cccc2n1-c1cc(Br)ccc1Br.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole?
The InChIKey is RJOUDYGQUCLBTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2N2/c15-8-4-5-9(16)12(6-8)20-11-3-1-2-10(18)14(11)19-13(20)7-17/h1-6H,7H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole?
4-chloro-2-(chloromethyl)-1-(2,5-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 4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole is sourced from PubChem (CID 104837784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).