2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole

C14H8ClF2IN2 — CID 66093423

IUPAC2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
SMILESFc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1
InChIInChI=1S/C14H8ClF2IN2/c15-7-14-19-12-6-11(18)10(17)5-13(12)20(14)9-3-1-8(16)2-4-9/h1-6H,7H2
InChIKeyBEIYIBBFNIMFNH-UHFFFAOYSA-N
MW404.59 g/mol
LogP4.65
Rot. Bonds2

About 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole

2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole (PubChem CID 66093423) has the molecular formula C14H8ClF2IN2 and a molecular weight of 404.59 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
PubChem CID66093423
Molecular FormulaC14H8ClF2IN2
Molecular Weight404.59 g/mol
Exact Mass403.94
IUPAC Name2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
SMILESFc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1
InChIInChI=1S/C14H8ClF2IN2/c15-7-14-19-12-6-11(18)10(17)5-13(12)20(14)9-3-1-8(16)2-4-9/h1-6H,7H2
InChIKeyBEIYIBBFNIMFNH-UHFFFAOYSA-N
XLogP4.65
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.59
LogP ≤ 54.65
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)-6-fluoro-1-(4-fluorophenyl)-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)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
CID 66093447
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632
2-(chloromethyl)-5-fluoro-1-(4-iodophenyl)-6-methoxybenzimidazole
CID 63597393
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
CID 66095293
2-(chloromethyl)-5-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 43660368
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)benzimidazole
CID 43660474

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole (CID 66093423) is 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole is Fc1ccc(-n2c(CCl)nc3cc(I)c(F)cc32)cc1.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole?
The InChIKey is BEIYIBBFNIMFNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF2IN2/c15-7-14-19-12-6-11(18)10(17)5-13(12)20(14)9-3-1-8(16)2-4-9/h1-6H,7H2.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole?
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole has a molecular weight of 404.59 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole is sourced from PubChem (CID 66093423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).