2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole

C11H9ClF3IN2 — CID 113303885

IUPAC2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1cc2c(cc1I)nc(CCCl)n2CC(F)F
InChIInChI=1S/C11H9ClF3IN2/c12-2-1-11-17-8-4-7(16)6(13)3-9(8)18(11)5-10(14)15/h3-4,10H,1-2,5H2
InChIKeyFTMBQSUMWDZCGL-UHFFFAOYSA-N
MW388.56 g/mol
LogP3.83
Rot. Bonds4

About 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole

2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole (PubChem CID 113303885) has the molecular formula C11H9ClF3IN2 and a molecular weight of 388.56 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole
PubChem CID113303885
Molecular FormulaC11H9ClF3IN2
Molecular Weight388.56 g/mol
Exact Mass387.95
IUPAC Name2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1cc2c(cc1I)nc(CCCl)n2CC(F)F
InChIInChI=1S/C11H9ClF3IN2/c12-2-1-11-17-8-4-7(16)6(13)3-9(8)18(11)5-10(14)15/h3-4,10H,1-2,5H2
InChIKeyFTMBQSUMWDZCGL-UHFFFAOYSA-N
XLogP3.83
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.56
LogP ≤ 53.83
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-(2-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxypropyl)benzimidazole
CID 102699532
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylsulfonylpropyl)benzimidazole
CID 66095904
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
CID 66093008
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(oxolan-3-ylmethyl)benzimidazole
CID 66093448
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-methylphenyl)benzimidazole
CID 66095889
2-(2-chloroethyl)-1-(1-cyclopentylethyl)-6-fluoro-5-iodobenzimidazole
CID 66093036
2-[2-(2-chloroethyl)-6-fluoro-5-iodobenzimidazol-1-yl]-N-methylpropanamide
CID 66093641
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
2-(chloromethyl)-6-fluoro-5-iodo-1-(3,3,3-trifluoropropyl)benzimidazole
CID 66094885
2-(2-chloroethyl)-5-fluoro-6-methyl-1-(2-methylsulfanylpropyl)benzimidazole
CID 103593965
2-(chloromethyl)-6-fluoro-5-iodo-1-(2-methylpentan-3-yl)benzimidazole
CID 66094669
2-(chloromethyl)-6-fluoro-5-iodo-1-[(4-methylphenyl)methyl]benzimidazole
CID 66100414

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole (CID 113303885) is 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole is Fc1cc2c(cc1I)nc(CCCl)n2CC(F)F.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole?
The InChIKey is FTMBQSUMWDZCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClF3IN2/c12-2-1-11-17-8-4-7(16)6(13)3-9(8)18(11)5-10(14)15/h3-4,10H,1-2,5H2.
What are the key properties of 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole?
2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole has a molecular weight of 388.56 g/mol, XLogP of 3.83, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole is sourced from PubChem (CID 113303885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).