2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole

C15H10ClF2IN2 — CID 66079847

IUPAC2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
SMILESFc1ccc(F)c(-n2c(CCCl)nc3cc(I)ccc32)c1
InChIInChI=1S/C15H10ClF2IN2/c16-6-5-15-20-12-8-10(19)2-4-13(12)21(15)14-7-9(17)1-3-11(14)18/h1-4,7-8H,5-6H2
InChIKeyGGWYKPPHQKKYSQ-UHFFFAOYSA-N
MW418.61 g/mol
LogP4.69
Rot. Bonds3

About 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole

2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole (PubChem CID 66079847) has the molecular formula C15H10ClF2IN2 and a molecular weight of 418.61 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
PubChem CID66079847
Molecular FormulaC15H10ClF2IN2
Molecular Weight418.61 g/mol
Exact Mass417.95
IUPAC Name2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole
SMILESFc1ccc(F)c(-n2c(CCCl)nc3cc(I)ccc32)c1
InChIInChI=1S/C15H10ClF2IN2/c16-6-5-15-20-12-8-10(19)2-4-13(12)21(15)14-7-9(17)1-3-11(14)18/h1-4,7-8H,5-6H2
InChIKeyGGWYKPPHQKKYSQ-UHFFFAOYSA-N
XLogP4.69
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.61
LogP ≤ 54.69
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)-1-(4-chloro-2-fluorophenyl)-5-iodobenzimidazole
CID 66082431
2-(2-chloroethyl)-1-(5-chloro-2-fluorophenyl)-5-fluorobenzimidazole
CID 43667556
2-(2-chloroethyl)-5-fluoro-1-(4-iodophenyl)benzimidazole
CID 43666862
1-(2-bromo-5-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 81280861
1-(2-bromo-5-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 107638080
1-(2-bromo-4-fluorophenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43667219
5-chloro-2-(2-chloroethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43666896
2-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
1-(4-bromo-2-chlorophenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081431
2-(2-chloroethyl)-1-(2-chloro-4-fluorophenyl)-5-methylbenzimidazole
CID 43667403
2-(2-chloroethyl)-1-(2,3-dimethylphenyl)-5-fluorobenzimidazole
CID 43667053
2-[2-(chloromethyl)-5-iodobenzimidazol-1-yl]-5-fluorobenzonitrile
CID 82684234

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole (CID 66079847) is 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole is Fc1ccc(F)c(-n2c(CCCl)nc3cc(I)ccc32)c1.
What is the InChIKey of 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole?
The InChIKey is GGWYKPPHQKKYSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10ClF2IN2/c16-6-5-15-20-12-8-10(19)2-4-13(12)21(15)14-7-9(17)1-3-11(14)18/h1-4,7-8H,5-6H2.
What are the key properties of 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole?
2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole has a molecular weight of 418.61 g/mol, XLogP of 4.69, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloroethyl)-1-(2,5-difluorophenyl)-5-iodobenzimidazole is sourced from PubChem (CID 66079847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).