2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole

C15H10Cl3FN2 — CID 83079081

IUPAC2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H10Cl3FN2/c1-8(16)15-20-12-4-2-3-5-13(12)21(15)14-10(17)6-9(19)7-11(14)18/h2-8H,1H3
InChIKeyFJJGIAHLVRXMMD-UHFFFAOYSA-N
MW343.62 g/mol
LogP5.77
Rot. Bonds2

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

2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole (PubChem CID 83079081) has the molecular formula C15H10Cl3FN2 and a molecular weight of 343.62 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
PubChem CID83079081
Molecular FormulaC15H10Cl3FN2
Molecular Weight343.62 g/mol
Exact Mass341.99
IUPAC Name2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1-c1c(Cl)cc(F)cc1Cl
InChIInChI=1S/C15H10Cl3FN2/c1-8(16)15-20-12-4-2-3-5-13(12)21(15)14-10(17)6-9(19)7-11(14)18/h2-8H,1H3
InChIKeyFJJGIAHLVRXMMD-UHFFFAOYSA-N
XLogP5.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.62
LogP ≤ 55.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole (CID 83079081) is 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole is CC(Cl)c1nc2ccccc2n1-c1c(Cl)cc(F)cc1Cl.
What is the InChIKey of 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
The InChIKey is FJJGIAHLVRXMMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10Cl3FN2/c1-8(16)15-20-12-4-2-3-5-13(12)21(15)14-10(17)6-9(19)7-11(14)18/h2-8H,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole?
2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole has a molecular weight of 343.62 g/mol, XLogP of 5.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(2,6-dichloro-4-fluorophenyl)benzimidazole is sourced from PubChem (CID 83079081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).