1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole

C14H7Cl2F2IN2 — CID 66093632

IUPAC1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1cc2c(cc1I)nc(CCl)n2-c1cccc(Cl)c1F
InChIInChI=1S/C14H7Cl2F2IN2/c15-6-13-20-10-5-9(19)8(17)4-12(10)21(13)11-3-1-2-7(16)14(11)18/h1-5H,6H2
InChIKeyZZRJLNDHDMCNNL-UHFFFAOYSA-N
MW439.03 g/mol
LogP5.30
Rot. Bonds2

About 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole

1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole (PubChem CID 66093632) has the molecular formula C14H7Cl2F2IN2 and a molecular weight of 439.03 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
PubChem CID66093632
Molecular FormulaC14H7Cl2F2IN2
Molecular Weight439.03 g/mol
Exact Mass437.90
IUPAC Name1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
SMILESFc1cc2c(cc1I)nc(CCl)n2-c1cccc(Cl)c1F
InChIInChI=1S/C14H7Cl2F2IN2/c15-6-13-20-10-5-9(19)8(17)4-12(10)21(13)11-3-1-2-7(16)14(11)18/h1-5H,6H2
InChIKeyZZRJLNDHDMCNNL-UHFFFAOYSA-N
XLogP5.30
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.03
LogP ≤ 55.30
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-(chloromethyl)-1-(2,5-difluorophenyl)-6-fluoro-5-iodobenzimidazole
CID 66094043
2-(chloromethyl)-6-fluoro-1-(4-fluorophenyl)-5-iodobenzimidazole
CID 66093423
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
5-chloro-2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)benzimidazole
CID 43667243
1-(2-bromophenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 66111396
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
1-(3-bromo-2-methylphenyl)-5-chloro-2-(chloromethyl)-6-fluorobenzimidazole
CID 107637715
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
2-(2-chloroethyl)-6-fluoro-5-iodo-1-(3-methylphenyl)benzimidazole
CID 66095683
2-(2-chloroethyl)-1-(3-chloro-2-fluorophenyl)-5-methylbenzimidazole
CID 43667253
2-(chloromethyl)-5-fluoro-1-(3-iodophenyl)-6-methylbenzimidazole
CID 103593303

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole (CID 66093632) is 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole is Fc1cc2c(cc1I)nc(CCl)n2-c1cccc(Cl)c1F.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
The InChIKey is ZZRJLNDHDMCNNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl2F2IN2/c15-6-13-20-10-5-9(19)8(17)4-12(10)21(13)11-3-1-2-7(16)14(11)18/h1-5H,6H2.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole?
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole has a molecular weight of 439.03 g/mol, XLogP of 5.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole is sourced from PubChem (CID 66093632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).