1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine

C24H23Cl2N3O2 — CID 17272709

IUPAC1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
SMILES[H]/N=c1\n(CCCOc2ccc(Cl)cc2)c2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C24H23Cl2N3O2/c25-18-10-12-19(13-11-18)30-16-5-14-28-21-7-2-3-8-22(21)29(24(28)27)15-17-31-23-9-4-1-6-20(23)26/h1-4,6-13,27H,5,14-17H2/b27-24+
InChIKeyMYLIKTDLYMYIKB-SOYKGTTHSA-N
MW456.37 g/mol
LogP5.78
Rot. Bonds9

About 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine

1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine (PubChem CID 17272709) has the molecular formula C24H23Cl2N3O2 and a molecular weight of 456.37 g/mol. Its IUPAC name is 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine.

Molecular Properties

Compound Name1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
PubChem CID17272709
Molecular FormulaC24H23Cl2N3O2
Molecular Weight456.37 g/mol
Exact Mass455.12
IUPAC Name1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
SMILES[H]/N=c1\n(CCCOc2ccc(Cl)cc2)c2ccccc2n1CCOc1ccccc1Cl
InChIInChI=1S/C24H23Cl2N3O2/c25-18-10-12-19(13-11-18)30-16-5-14-28-21-7-2-3-8-22(21)29(24(28)27)15-17-31-23-9-4-1-6-20(23)26/h1-4,6-13,27H,5,14-17H2/b27-24+
InChIKeyMYLIKTDLYMYIKB-SOYKGTTHSA-N
XLogP5.78
TPSA52.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500456.37
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
1-butyl-3-[2-(2-chlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2913926
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3778765
2-[3-[2-(2-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]ethanol;hydrochloride
CID 2931281
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669
1-[3-(4-chlorophenoxy)propyl]-3-[(3,4-dichlorophenyl)methyl]benzimidazol-2-imine
CID 17272687
1-butyl-3-[2-(2,4-dichlorophenoxy)ethyl]benzimidazol-2-imine;hydrobromide
CID 2915886
4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
CID 86288558
2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
CID 17370592
1-[(2-chlorophenyl)methyl]-3-(2-phenoxyethyl)benzimidazol-2-imine;hydrochloride
CID 163325463
1-ethyl-3-[3-(4-fluorophenoxy)propyl]benzimidazol-2-imine
CID 22332685

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine?
The IUPAC name of 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine (CID 17272709) is 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine.
What is the SMILES notation for 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine?
The canonical SMILES for 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine is [H]/N=c1\n(CCCOc2ccc(Cl)cc2)c2ccccc2n1CCOc1ccccc1Cl.
What is the InChIKey of 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine?
The InChIKey is MYLIKTDLYMYIKB-SOYKGTTHSA-N. The full InChI is InChI=1S/C24H23Cl2N3O2/c25-18-10-12-19(13-11-18)30-16-5-14-28-21-7-2-3-8-22(21)29(24(28)27)15-17-31-23-9-4-1-6-20(23)26/h1-4,6-13,27H,5,14-17H2/b27-24+.
What are the key properties of 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine?
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine has a molecular weight of 456.37 g/mol, XLogP of 5.78, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine is sourced from PubChem (CID 17272709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).