1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole

C14H8BrCl3N2 — CID 103480725

IUPAC1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1-c1cccc(Cl)c1Br
InChIInChI=1S/C14H8BrCl3N2/c15-13-8(17)3-2-6-11(13)20-12(7-16)19-10-5-1-4-9(18)14(10)20/h1-6H,7H2
InChIKeyDNTHUFUDOLJXCU-UHFFFAOYSA-N
MW390.50 g/mol
LogP5.83
Rot. Bonds2

About 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole

1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole (PubChem CID 103480725) has the molecular formula C14H8BrCl3N2 and a molecular weight of 390.50 g/mol. Its IUPAC name is 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole.

Molecular Properties

Compound Name1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
PubChem CID103480725
Molecular FormulaC14H8BrCl3N2
Molecular Weight390.50 g/mol
Exact Mass387.89
IUPAC Name1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
SMILESClCc1nc2cccc(Cl)c2n1-c1cccc(Cl)c1Br
InChIInChI=1S/C14H8BrCl3N2/c15-13-8(17)3-2-6-11(13)20-12(7-16)19-10-5-1-4-9(18)14(10)20/h1-6H,7H2
InChIKeyDNTHUFUDOLJXCU-UHFFFAOYSA-N
XLogP5.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.50
LogP ≤ 55.83
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

7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
1-(2-bromophenyl)-7-chloro-2-(2-chloroethyl)benzimidazole
CID 43667179
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
CID 79766177
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
1-(2-bromo-3-chlorophenyl)-5-(chloromethyl)tetrazole
CID 103480758
1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 107607310
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
2-[7-chloro-2-(chloromethyl)benzimidazol-1-yl]-N,N-dimethylethanamine
CID 43659933
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
5-bromo-2-(chloromethyl)-1-(3-chloro-2-methylphenyl)benzimidazole
CID 43660831

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The IUPAC name of 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole (CID 103480725) is 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole.
What is the SMILES notation for 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The canonical SMILES for 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole is ClCc1nc2cccc(Cl)c2n1-c1cccc(Cl)c1Br.
What is the InChIKey of 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
The InChIKey is DNTHUFUDOLJXCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrCl3N2/c15-13-8(17)3-2-6-11(13)20-12(7-16)19-10-5-1-4-9(18)14(10)20/h1-6H,7H2.
What are the key properties of 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole?
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole has a molecular weight of 390.50 g/mol, XLogP of 5.83, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole is sourced from PubChem (CID 103480725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).