5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole

C14H8Br2Cl2N2 — CID 81275644

IUPAC5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
SMILESClCc1nc2cc(Br)ccc2n1-c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8Br2Cl2N2/c15-8-1-3-13-11(5-8)19-14(7-17)20(13)12-4-2-9(18)6-10(12)16/h1-6H,7H2
InChIKeyLSDJUPXBJGNBCL-UHFFFAOYSA-N
MW434.95 g/mol
LogP5.94
Rot. Bonds2

About 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole

5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole (PubChem CID 81275644) has the molecular formula C14H8Br2Cl2N2 and a molecular weight of 434.95 g/mol. Its IUPAC name is 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
PubChem CID81275644
Molecular FormulaC14H8Br2Cl2N2
Molecular Weight434.95 g/mol
Exact Mass431.84
IUPAC Name5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole
SMILESClCc1nc2cc(Br)ccc2n1-c1ccc(Cl)cc1Br
InChIInChI=1S/C14H8Br2Cl2N2/c15-8-1-3-13-11(5-8)19-14(7-17)20(13)12-4-2-9(18)6-10(12)16/h1-6H,7H2
InChIKeyLSDJUPXBJGNBCL-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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Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole?
The IUPAC name of 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole (CID 81275644) is 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole?
The canonical SMILES for 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole is ClCc1nc2cc(Br)ccc2n1-c1ccc(Cl)cc1Br.
What is the InChIKey of 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole?
The InChIKey is LSDJUPXBJGNBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Br2Cl2N2/c15-8-1-3-13-11(5-8)19-14(7-17)20(13)12-4-2-9(18)6-10(12)16/h1-6H,7H2.
What are the key properties of 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole?
5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)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 5-bromo-1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 81275644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).