2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole

C15H10ClFI2N2 — CID 66093008

IUPAC2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
SMILESFc1cc2c(cc1I)nc(CCCl)n2-c1ccc(I)cc1
InChIInChI=1S/C15H10ClFI2N2/c16-6-5-15-20-13-8-12(19)11(17)7-14(13)21(15)10-3-1-9(18)2-4-10/h1-4,7-8H,5-6H2
InChIKeyQZKPLHZWQCVABG-UHFFFAOYSA-N
MW526.52 g/mol
LogP5.16
Rot. Bonds3

About 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole

2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole (PubChem CID 66093008) has the molecular formula C15H10ClFI2N2 and a molecular weight of 526.52 g/mol. Its IUPAC name is 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
PubChem CID66093008
Molecular FormulaC15H10ClFI2N2
Molecular Weight526.52 g/mol
Exact Mass525.86
IUPAC Name2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole
SMILESFc1cc2c(cc1I)nc(CCCl)n2-c1ccc(I)cc1
InChIInChI=1S/C15H10ClFI2N2/c16-6-5-15-20-13-8-12(19)11(17)7-14(13)21(15)10-3-1-9(18)2-4-10/h1-4,7-8H,5-6H2
InChIKeyQZKPLHZWQCVABG-UHFFFAOYSA-N
XLogP5.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.52
LogP ≤ 55.16
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-(4-methylphenyl)benzimidazole
CID 66095889
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
2-(chloromethyl)-6-fluoro-1-(4-fluoro-3-methylphenyl)-5-iodobenzimidazole
CID 66093447
5-bromo-1-(4-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 66088492
2-(2-chloroethyl)-3-(4-iodophenyl)benzimidazole-5-carbonitrile
CID 104715345
2-(2-chloroethyl)-5-fluoro-6-methyl-1-phenylbenzimidazole
CID 103593331
2-(2-chloroethyl)-1-(2,2-difluoroethyl)-6-fluoro-5-iodobenzimidazole
CID 113303885
1-(3-bromo-4-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 104780041
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
2-(chloromethyl)-5-fluoro-1-(4-iodophenyl)-6-methoxybenzimidazole
CID 63597393

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole?
The IUPAC name of 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole (CID 66093008) is 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole is Fc1cc2c(cc1I)nc(CCCl)n2-c1ccc(I)cc1.
What is the InChIKey of 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole?
The InChIKey is QZKPLHZWQCVABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClFI2N2/c16-6-5-15-20-13-8-12(19)11(17)7-14(13)21(15)10-3-1-9(18)2-4-10/h1-4,7-8H,5-6H2.
What are the key properties of 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole?
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole has a molecular weight of 526.52 g/mol, XLogP of 5.16, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-6-fluoro-5-iodo-1-(4-iodophenyl)benzimidazole is sourced from PubChem (CID 66093008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).