2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole

C15H11Cl2IN2 — CID 66081223

IUPAC2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
SMILESCc1ccc(Cl)cc1-n1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C15H11Cl2IN2/c1-9-2-3-10(17)6-14(9)20-13-5-4-11(18)7-12(13)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyGVIRGDMTPSHDJK-UHFFFAOYSA-N
MW417.08 g/mol
LogP5.33
Rot. Bonds2

About 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole

2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole (PubChem CID 66081223) has the molecular formula C15H11Cl2IN2 and a molecular weight of 417.08 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
PubChem CID66081223
Molecular FormulaC15H11Cl2IN2
Molecular Weight417.08 g/mol
Exact Mass415.93
IUPAC Name2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole
SMILESCc1ccc(Cl)cc1-n1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C15H11Cl2IN2/c1-9-2-3-10(17)6-14(9)20-13-5-4-11(18)7-12(13)19-15(20)8-16/h2-7H,8H2,1H3
InChIKeyGVIRGDMTPSHDJK-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'}

Analyze 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole (CID 66081223) is 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole is Cc1ccc(Cl)cc1-n1c(CCl)nc2cc(I)ccc21.
What is the InChIKey of 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole?
The InChIKey is GVIRGDMTPSHDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11Cl2IN2/c1-9-2-3-10(17)6-14(9)20-13-5-4-11(18)7-12(13)19-15(20)8-16/h2-7H,8H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole?
2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole 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 2-(chloromethyl)-1-(5-chloro-2-methylphenyl)-5-iodobenzimidazole is sourced from PubChem (CID 66081223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).