2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole

C15H10ClF2IN2 — CID 66093447

IUPAC2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
SMILESCc1cc(-n2c(CCl)nc3cc(I)c(F)cc32)ccc1F
InChIInChI=1S/C15H10ClF2IN2/c1-8-4-9(2-3-10(8)17)21-14-5-11(18)12(19)6-13(14)20-15(21)7-16/h2-6H,7H2,1H3
InChIKeyXATKQEIDHHZOPT-UHFFFAOYSA-N
MW418.61 g/mol
LogP4.96
Rot. Bonds2

About 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole

2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole (PubChem CID 66093447) has the molecular formula C15H10ClF2IN2 and a molecular weight of 418.61 g/mol. Its IUPAC name is 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
PubChem CID66093447
Molecular FormulaC15H10ClF2IN2
Molecular Weight418.61 g/mol
Exact Mass417.95
IUPAC Name2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
SMILESCc1cc(-n2c(CCl)nc3cc(I)c(F)cc32)ccc1F
InChIInChI=1S/C15H10ClF2IN2/c1-8-4-9(2-3-10(8)17)21-14-5-11(18)12(19)6-13(14)20-15(21)7-16/h2-6H,7H2,1H3
InChIKeyXATKQEIDHHZOPT-UHFFFAOYSA-N
XLogP4.96
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.96
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

1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
2-(chloromethyl)-5-fluoro-1-(4-fluoro-3-methylphenyl)benzimidazole
CID 63547222
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
CID 103593303
2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
2-(chloromethyl)-1-(2,6-difluoro-3-methylphenyl)-5-iodobenzimidazole
CID 82801034
2-(chloromethyl)-5-fluoro-1-(4-iodophenyl)-6-methoxybenzimidazole
CID 63597393
2-(chloromethyl)-3-(4-fluoro-3-methylphenyl)quinazolin-4-one
CID 62812753

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole?
The IUPAC name of 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole (CID 66093447) is 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole is Cc1cc(-n2c(CCl)nc3cc(I)c(F)cc32)ccc1F.
What is the InChIKey of 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole?
The InChIKey is XATKQEIDHHZOPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2IN2/c1-8-4-9(2-3-10(8)17)21-14-5-11(18)12(19)6-13(14)20-15(21)7-16/h2-6H,7H2,1H3.
What are the key properties of 2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole?
2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole has a molecular weight of 418.61 g/mol, XLogP of 4.96, 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-fluoro-3-methylphenyl)-5-iodobenzimidazole is sourced from PubChem (CID 66093447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).