1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole

C15H11Cl2IN2 — CID 107607310

IUPAC1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(-c3ccc(I)cc3Cl)c12
InChIInChI=1S/C15H11Cl2IN2/c1-9-3-2-4-12-15(9)20(14(8-16)19-12)13-6-5-10(18)7-11(13)17/h2-7H,8H2,1H3
InChIKeyGCQOGKOZGCOVBL-UHFFFAOYSA-N
MW417.08 g/mol
LogP5.33
Rot. Bonds2

About 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole

1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole (PubChem CID 107607310) has the molecular formula C15H11Cl2IN2 and a molecular weight of 417.08 g/mol. Its IUPAC name is 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole.

Molecular Properties

Compound Name1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole
PubChem CID107607310
Molecular FormulaC15H11Cl2IN2
Molecular Weight417.08 g/mol
Exact Mass415.93
IUPAC Name1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole
SMILESCc1cccc2nc(CCl)n(-c3ccc(I)cc3Cl)c12
InChIInChI=1S/C15H11Cl2IN2/c1-9-3-2-4-12-15(9)20(14(8-16)19-12)13-6-5-10(18)7-11(13)17/h2-7H,8H2,1H3
InChIKeyGCQOGKOZGCOVBL-UHFFFAOYSA-N
XLogP5.33
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.08
LogP ≤ 55.33
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-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935
2-(2-chloroethyl)-1-(2,4-dichlorophenyl)-7-methylbenzimidazole
CID 115552924
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
CID 79766177
3-[2-(chloromethyl)-7-methylbenzimidazol-1-yl]-4-methylbenzonitrile
CID 115553377
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
2-(2-chloroethyl)-1-(2,3-dichlorophenyl)-7-methylbenzimidazole
CID 115552896
2-(chloromethyl)-7-methyl-1-propan-2-ylbenzimidazole
CID 115552648
2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
CID 66081223
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63545740
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 104780082

Frequently Asked Questions

What is the IUPAC name of 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
The IUPAC name of 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole (CID 107607310) is 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole.
What is the SMILES notation for 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
The canonical SMILES for 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole is Cc1cccc2nc(CCl)n(-c3ccc(I)cc3Cl)c12.
What is the InChIKey of 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
The InChIKey is GCQOGKOZGCOVBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN2/c1-9-3-2-4-12-15(9)20(14(8-16)19-12)13-6-5-10(18)7-11(13)17/h2-7H,8H2,1H3.
What are the key properties of 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole?
1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole has a molecular weight of 417.08 g/mol, XLogP of 5.33, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole is sourced from PubChem (CID 107607310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).