2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole

C17H16Cl2N2 — CID 63546317

IUPAC2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2/c1-11(18)17-20-15-5-3-4-6-16(15)21(17)12(2)13-7-9-14(19)10-8-13/h3-12H,1-2H3
InChIKeyZAHRRACBMVMLDA-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.60
Rot. Bonds3

About 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole

2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole (PubChem CID 63546317) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
PubChem CID63546317
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1C(C)c1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2/c1-11(18)17-20-15-5-3-4-6-16(15)21(17)12(2)13-7-9-14(19)10-8-13/h3-12H,1-2H3
InChIKeyZAHRRACBMVMLDA-UHFFFAOYSA-N
XLogP5.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.60
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-[1-(4-chlorophenyl)ethyl]benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole (CID 63546317) is 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole is CC(Cl)c1nc2ccccc2n1C(C)c1ccc(Cl)cc1.
What is the InChIKey of 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole?
The InChIKey is ZAHRRACBMVMLDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-11(18)17-20-15-5-3-4-6-16(15)21(17)12(2)13-7-9-14(19)10-8-13/h3-12H,1-2H3.
What are the key properties of 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole?
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole has a molecular weight of 319.24 g/mol, XLogP of 5.60, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole is sourced from PubChem (CID 63546317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).