1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole

C15H10BrCl2IN2 — CID 81280861

IUPAC1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
SMILESClCCc1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C15H10BrCl2IN2/c16-11-3-1-9(18)7-14(11)21-13-4-2-10(19)8-12(13)20-15(21)5-6-17/h1-4,7-8H,5-6H2
InChIKeyNJFYOQVNEFQEQP-UHFFFAOYSA-N
MW495.97 g/mol
LogP5.83
Rot. Bonds3

About 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole

1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole (PubChem CID 81280861) has the molecular formula C15H10BrCl2IN2 and a molecular weight of 495.97 g/mol. Its IUPAC name is 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
PubChem CID81280861
Molecular FormulaC15H10BrCl2IN2
Molecular Weight495.97 g/mol
Exact Mass493.84
IUPAC Name1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
SMILESClCCc1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Br
InChIInChI=1S/C15H10BrCl2IN2/c16-11-3-1-9(18)7-14(11)21-13-4-2-10(19)8-12(13)20-15(21)5-6-17/h1-4,7-8H,5-6H2
InChIKeyNJFYOQVNEFQEQP-UHFFFAOYSA-N
XLogP5.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500495.97
LogP ≤ 55.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
1-(2-bromo-4-chlorophenyl)-2-(chloromethyl)-5-iodobenzimidazole
CID 81274666
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
CID 66079847
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
CID 66081223
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
5-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 43666678
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 115553755
6-bromo-3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81281193
3-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)imidazo[4,5-b]pyridine
CID 81275828

Frequently Asked Questions

What is the IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole?
The IUPAC name of 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole (CID 81280861) is 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole.
What is the SMILES notation for 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole?
The canonical SMILES for 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole is ClCCc1nc2cc(I)ccc2n1-c1cc(Cl)ccc1Br.
What is the InChIKey of 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole?
The InChIKey is NJFYOQVNEFQEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10BrCl2IN2/c16-11-3-1-9(18)7-14(11)21-13-4-2-10(19)8-12(13)20-15(21)5-6-17/h1-4,7-8H,5-6H2.
What are the key properties of 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole?
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole has a molecular weight of 495.97 g/mol, XLogP of 5.83, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole is sourced from PubChem (CID 81280861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).