2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole

C15H10Cl2F2N2 — CID 63545911

IUPAC2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(-c3ccc(Cl)cc3)c2c1F
InChIInChI=1S/C15H10Cl2F2N2/c16-8-7-13-20-12-6-5-11(18)14(19)15(12)21(13)10-3-1-9(17)2-4-10/h1-6H,7-8H2
InChIKeyAIWLRBBGVGNKRP-UHFFFAOYSA-N
MW327.16 g/mol
LogP4.74
Rot. Bonds3

About 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole

2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole (PubChem CID 63545911) has the molecular formula C15H10Cl2F2N2 and a molecular weight of 327.16 g/mol. Its IUPAC name is 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole.

Molecular Properties

Compound Name2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole
PubChem CID63545911
Molecular FormulaC15H10Cl2F2N2
Molecular Weight327.16 g/mol
Exact Mass326.02
IUPAC Name2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole
SMILESFc1ccc2nc(CCCl)n(-c3ccc(Cl)cc3)c2c1F
InChIInChI=1S/C15H10Cl2F2N2/c16-8-7-13-20-12-6-5-11(18)14(19)15(12)21(13)10-3-1-9(17)2-4-10/h1-6H,7-8H2
InChIKeyAIWLRBBGVGNKRP-UHFFFAOYSA-N
XLogP4.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.16
LogP ≤ 54.74
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

7-chloro-2-(2-chloroethyl)-1-(3,4-difluorophenyl)benzimidazole
CID 43666940
2-(chloromethyl)-1-(4-ethylphenyl)-6,7-difluorobenzimidazole
CID 63546704
4-[2-(chloromethyl)-6,7-difluorobenzimidazol-1-yl]benzonitrile
CID 62532397
2-(2-chloroethyl)-6,7-difluoro-1-(3-methylbutan-2-yl)benzimidazole
CID 62532235
1-(3-bromo-4-fluorophenyl)-2-(2-chloroethyl)-7-methylbenzimidazole
CID 104780083
2-(2-chloroethyl)-1-(2,3-dimethylbutyl)-6,7-difluorobenzimidazole
CID 64596576
2-(chloromethyl)-6,7-difluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79046056
6-chloro-2-(2-chloroethyl)-1-(3-fluoro-4-methylphenyl)benzimidazole
CID 115470935
2-(chloromethyl)-6,7-difluoro-1-(1-methylpyrazol-4-yl)benzimidazole
CID 79778914
5-[[2-(2-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420558
2-(2-chloroethyl)-1-(3-ethylpentan-2-yl)-6,7-difluorobenzimidazole
CID 63836263
2-(2-chloroethyl)-1-(2,2-dimethylbutyl)-6,7-difluorobenzimidazole
CID 103463023

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole?
The IUPAC name of 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole (CID 63545911) is 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole.
What is the SMILES notation for 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole?
The canonical SMILES for 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole is Fc1ccc2nc(CCCl)n(-c3ccc(Cl)cc3)c2c1F.
What is the InChIKey of 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole?
The InChIKey is AIWLRBBGVGNKRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl2F2N2/c16-8-7-13-20-12-6-5-11(18)14(19)15(12)21(13)10-3-1-9(17)2-4-10/h1-6H,7-8H2.
What are the key properties of 2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole?
2-(2-chloroethyl)-1-(4-chlorophenyl)-6,7-difluorobenzimidazole has a molecular weight of 327.16 g/mol, XLogP of 4.74, 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-(4-chlorophenyl)-6,7-difluorobenzimidazole is sourced from PubChem (CID 63545911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).