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

C17H16Cl2N2 — CID 63545217

IUPAC2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1CCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2/c1-12(18)17-20-15-4-2-3-5-16(15)21(17)11-10-13-6-8-14(19)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeySDIJEFPGXGPXRR-UHFFFAOYSA-N
MW319.24 g/mol
LogP5.23
Rot. Bonds4

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

2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole (PubChem CID 63545217) has the molecular formula C17H16Cl2N2 and a molecular weight of 319.24 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
PubChem CID63545217
Molecular FormulaC17H16Cl2N2
Molecular Weight319.24 g/mol
Exact Mass318.07
IUPAC Name2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole
SMILESCC(Cl)c1nc2ccccc2n1CCc1ccc(Cl)cc1
InChIInChI=1S/C17H16Cl2N2/c1-12(18)17-20-15-4-2-3-5-16(15)21(17)11-10-13-6-8-14(19)9-7-13/h2-9,12H,10-11H2,1H3
InChIKeySDIJEFPGXGPXRR-UHFFFAOYSA-N
XLogP5.23
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.24
LogP ≤ 55.23
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

2-(1-chloroethyl)-3-[2-(4-chlorophenyl)ethyl]imidazo[4,5-b]pyridine
CID 79274501
2-(1-chloroethyl)-1-[(4-methylphenyl)methyl]benzimidazole
CID 43666398
2-(1-chloroethyl)-1-(3-methylsulfanylbutyl)benzimidazole
CID 113494128
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
2-(1-chloroethyl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine
CID 79289928
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
1-[(4-chlorophenyl)methyl]-2-(2-phenylethyl)benzimidazole
CID 18878939
2-(1-chloroethyl)-1-[1-(4-chlorophenyl)ethyl]benzimidazole
CID 63546317
1-[(3-bromophenyl)methyl]-2-(1-chloroethyl)benzimidazole
CID 63545927
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
1-[(4-chlorophenyl)methyl]-2-methylsulfanylbenzimidazole
CID 40517062
2-(1-chloroethyl)-1-(cyclobutylmethyl)benzimidazole
CID 43667459

Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole (CID 63545217) is 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole is CC(Cl)c1nc2ccccc2n1CCc1ccc(Cl)cc1.
What is the InChIKey of 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole?
The InChIKey is SDIJEFPGXGPXRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N2/c1-12(18)17-20-15-4-2-3-5-16(15)21(17)11-10-13-6-8-14(19)9-7-13/h2-9,12H,10-11H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole?
2-(1-chloroethyl)-1-[2-(4-chlorophenyl)ethyl]benzimidazole has a molecular weight of 319.24 g/mol, XLogP of 5.23, 4 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-(4-chlorophenyl)ethyl]benzimidazole is sourced from PubChem (CID 63545217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).