7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole

C14H8Cl2FIN2 — CID 79766177

IUPAC7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
SMILESFc1ccc(-n2c(CCl)nc3cccc(Cl)c32)c(I)c1
InChIInChI=1S/C14H8Cl2FIN2/c15-7-13-19-11-3-1-2-9(16)14(11)20(13)12-5-4-8(17)6-10(12)18/h1-6H,7H2
InChIKeyDZVHWHHOXKIAON-UHFFFAOYSA-N
MW421.04 g/mol
LogP5.16
Rot. Bonds2

About 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole

7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole (PubChem CID 79766177) has the molecular formula C14H8Cl2FIN2 and a molecular weight of 421.04 g/mol. Its IUPAC name is 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole.

Molecular Properties

Compound Name7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
PubChem CID79766177
Molecular FormulaC14H8Cl2FIN2
Molecular Weight421.04 g/mol
Exact Mass419.91
IUPAC Name7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole
SMILESFc1ccc(-n2c(CCl)nc3cccc(Cl)c32)c(I)c1
InChIInChI=1S/C14H8Cl2FIN2/c15-7-13-19-11-3-1-2-9(16)14(11)20(13)12-5-4-8(17)6-10(12)18/h1-6H,7H2
InChIKeyDZVHWHHOXKIAON-UHFFFAOYSA-N
XLogP5.16
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.04
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

1-(2-chloro-4-fluorophenyl)-2-(chloromethyl)-6,7-difluorobenzimidazole
CID 63545740
1-(2-bromo-3-chlorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 103480725
1-(4-bromo-2-methylphenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 43660462
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
1-(2-chloro-4-iodophenyl)-2-(chloromethyl)-7-methylbenzimidazole
CID 107607310
7-chloro-2-(2-chloroethyl)-1-(2-chloro-4-methylphenyl)benzimidazole
CID 43667263
3-(2-chloro-4-fluorophenyl)-2-(chloromethyl)quinazolin-4-one
CID 61064406
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685
7-chloro-2-(chloromethyl)-1-(2,6-dibromophenyl)benzimidazole
CID 107601564
1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)-6-fluoro-5-iodobenzimidazole
CID 66093632
7-chloro-2-(chloromethyl)-1-(4-fluoro-3-methoxyphenyl)benzimidazole
CID 114840272
2-(chloromethyl)-1-(3-chloro-2-methylphenyl)-7-methylbenzimidazole
CID 115552935

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole?
The IUPAC name of 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole (CID 79766177) is 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole.
What is the SMILES notation for 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole?
The canonical SMILES for 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole is Fc1ccc(-n2c(CCl)nc3cccc(Cl)c32)c(I)c1.
What is the InChIKey of 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole?
The InChIKey is DZVHWHHOXKIAON-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2FIN2/c15-7-13-19-11-3-1-2-9(16)14(11)20(13)12-5-4-8(17)6-10(12)18/h1-6H,7H2.
What are the key properties of 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole?
7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole has a molecular weight of 421.04 g/mol, XLogP of 5.16, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-(chloromethyl)-1-(4-fluoro-2-iodophenyl)benzimidazole is sourced from PubChem (CID 79766177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).