2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole

C14H8Cl2F2N2 — CID 115509136

IUPAC2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(-c3ccccc3Cl)c2c1
InChIInChI=1S/C14H8Cl2F2N2/c15-7-13-19-14-10(18)5-8(17)6-12(14)20(13)11-4-2-1-3-9(11)16/h1-6H,7H2
InChIKeyXOWUFJMIJLVOCQ-UHFFFAOYSA-N
MW313.13 g/mol
LogP4.70
Rot. Bonds2

About 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole

2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole (PubChem CID 115509136) has the molecular formula C14H8Cl2F2N2 and a molecular weight of 313.13 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
PubChem CID115509136
Molecular FormulaC14H8Cl2F2N2
Molecular Weight313.13 g/mol
Exact Mass312.00
IUPAC Name2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(-c3ccccc3Cl)c2c1
InChIInChI=1S/C14H8Cl2F2N2/c15-7-13-19-14-10(18)5-8(17)6-12(14)20(13)11-4-2-1-3-9(11)16/h1-6H,7H2
InChIKeyXOWUFJMIJLVOCQ-UHFFFAOYSA-N
XLogP4.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.13
LogP ≤ 54.70
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-chlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508622
1-(2-bromo-5-chlorophenyl)-2-(chloromethyl)-4,6-difluorobenzimidazole
CID 115509666
2-(chloromethyl)-1-(3,5-dimethylphenyl)-4,6-difluorobenzimidazole
CID 115509139
2-(chloromethyl)-4,6-difluoro-1-(3-methoxyphenyl)benzimidazole
CID 115509147
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
1-(2,3-dichlorophenyl)-4,6-difluorobenzimidazol-2-amine
CID 115508632
2-(chloromethyl)-1-(2-chloro-5-methylphenyl)-4-fluorobenzimidazole
CID 107637832
4-chloro-2-(chloromethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
CID 104838594
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
1-(2-bromo-6-chloro-4-fluorophenyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 107614166
2-(chloromethyl)-1-(2,3-dichlorophenyl)-5-fluorobenzimidazole
CID 43660685

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole (CID 115509136) is 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole is Fc1cc(F)c2nc(CCl)n(-c3ccccc3Cl)c2c1.
What is the InChIKey of 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole?
The InChIKey is XOWUFJMIJLVOCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2N2/c15-7-13-19-14-10(18)5-8(17)6-12(14)20(13)11-4-2-1-3-9(11)16/h1-6H,7H2.
What are the key properties of 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole?
2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole has a molecular weight of 313.13 g/mol, XLogP of 4.70, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2-chlorophenyl)-4,6-difluorobenzimidazole is sourced from PubChem (CID 115509136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).