2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole

C16H13ClFIN2 — CID 66080622

IUPAC2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole
SMILESFc1ccccc1CCn1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C16H13ClFIN2/c17-10-16-20-14-9-12(19)5-6-15(14)21(16)8-7-11-3-1-2-4-13(11)18/h1-6,9H,7-8,10H2
InChIKeyWLLVMKZAHWAAOU-UHFFFAOYSA-N
MW414.65 g/mol
LogP4.76
Rot. Bonds4

About 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole

2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole (PubChem CID 66080622) has the molecular formula C16H13ClFIN2 and a molecular weight of 414.65 g/mol. Its IUPAC name is 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole
PubChem CID66080622
Molecular FormulaC16H13ClFIN2
Molecular Weight414.65 g/mol
Exact Mass413.98
IUPAC Name2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole
SMILESFc1ccccc1CCn1c(CCl)nc2cc(I)ccc21
InChIInChI=1S/C16H13ClFIN2/c17-10-16-20-14-9-12(19)5-6-15(14)21(16)8-7-11-3-1-2-4-13(11)18/h1-6,9H,7-8,10H2
InChIKeyWLLVMKZAHWAAOU-UHFFFAOYSA-N
XLogP4.76
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.65
LogP ≤ 54.76
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-[2-(2-fluorophenyl)ethyl]-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

Related Compounds

2-(chloromethyl)-5-iodo-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 80686278
2-(chloromethyl)-1-[2-(5-chlorothiophen-2-yl)ethyl]-5-iodobenzimidazole
CID 106037680
2-(chloromethyl)-5-methyl-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79757744
2-(chloromethyl)-5-iodo-1-(4-methylpentyl)benzimidazole
CID 66081071
5-bromo-2-(chloromethyl)-1-[2-(2-methylphenyl)ethyl]benzimidazole
CID 79754736
2-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
2-(chloromethyl)-5-iodo-1-(3-propoxypropyl)benzimidazole
CID 82943666
5-chloro-2-(chloromethyl)-1-[2-(3-fluorophenyl)ethyl]benzimidazole
CID 43659788
2-(chloromethyl)-5-iodo-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole
CID 102906948
2-(chloromethyl)-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66079632
2-(2-chloroethyl)-5-iodo-1-(2-methylsulfanylethyl)benzimidazole
CID 66081873
2-(chloromethyl)-5-iodo-1-[(2-methylpyrazol-3-yl)methyl]benzimidazole
CID 66081463

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole (CID 66080622) is 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole is Fc1ccccc1CCn1c(CCl)nc2cc(I)ccc21.
What is the InChIKey of 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole?
The InChIKey is WLLVMKZAHWAAOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13ClFIN2/c17-10-16-20-14-9-12(19)5-6-15(14)21(16)8-7-11-3-1-2-4-13(11)18/h1-6,9H,7-8,10H2.
What are the key properties of 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole?
2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole has a molecular weight of 414.65 g/mol, XLogP of 4.76, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-[2-(2-fluorophenyl)ethyl]-5-iodobenzimidazole is sourced from PubChem (CID 66080622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).