4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole

C14H7Cl4FN2 — CID 104838594

IUPAC4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
SMILESFc1cc(Cl)c(-n2c(CCl)nc3c(Cl)cccc32)c(Cl)c1
InChIInChI=1S/C14H7Cl4FN2/c15-6-12-20-13-8(16)2-1-3-11(13)21(12)14-9(17)4-7(19)5-10(14)18/h1-5H,6H2
InChIKeyFWFPDOFCFOWLAL-UHFFFAOYSA-N
MW364.03 g/mol
LogP5.86
Rot. Bonds2

About 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole

4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole (PubChem CID 104838594) has the molecular formula C14H7Cl4FN2 and a molecular weight of 364.03 g/mol. Its IUPAC name is 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
PubChem CID104838594
Molecular FormulaC14H7Cl4FN2
Molecular Weight364.03 g/mol
Exact Mass361.93
IUPAC Name4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
SMILESFc1cc(Cl)c(-n2c(CCl)nc3c(Cl)cccc32)c(Cl)c1
InChIInChI=1S/C14H7Cl4FN2/c15-6-12-20-13-8(16)2-1-3-11(13)21(12)14-9(17)4-7(19)5-10(14)18/h1-5H,6H2
InChIKeyFWFPDOFCFOWLAL-UHFFFAOYSA-N
XLogP5.86
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.03
LogP ≤ 55.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
4-chloro-1-(3-chloro-2-fluorophenyl)-2-(chloromethyl)benzimidazole
CID 104837582
1-(5-bromo-2,4-difluorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 102854323
2-(chloromethyl)-1-(2-chloro-6-methylphenyl)-4-fluorobenzimidazole
CID 66251217
1-(3-bromo-4-chlorophenyl)-4-chloro-2-(chloromethyl)benzimidazole
CID 104838473
4-chloro-2-(chloromethyl)-1-(3-fluoro-4-methoxyphenyl)benzimidazole
CID 104837657
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
1-(4-bromo-2,6-difluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 65499437
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
CID 115509136
4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501
1-(2-bromo-6-chloro-4-fluorophenyl)-7-chloro-2-(chloromethyl)benzimidazole
CID 107614180
4-chloro-1-(5-chloro-2-methoxyphenyl)-2-(chloromethyl)benzimidazole
CID 104837476

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
The IUPAC name of 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole (CID 104838594) is 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole.
What is the SMILES notation for 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
The canonical SMILES for 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole is Fc1cc(Cl)c(-n2c(CCl)nc3c(Cl)cccc32)c(Cl)c1.
What is the InChIKey of 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
The InChIKey is FWFPDOFCFOWLAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H7Cl4FN2/c15-6-12-20-13-8(16)2-1-3-11(13)21(12)14-9(17)4-7(19)5-10(14)18/h1-5H,6H2.
What are the key properties of 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole has a molecular weight of 364.03 g/mol, XLogP of 5.86, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole is sourced from PubChem (CID 104838594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).