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

C18H20ClN3O — CID 3778765

IUPAC1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-2-11-21-16-5-3-4-6-17(16)22(18(21)20)12-13-23-15-9-7-14(19)8-10-15/h3-10,20H,2,11-13H2,1H3/b20-18+
InChIKeyVAOZPMIRGSLPLA-CZIZESTLSA-N
MW329.83 g/mol
LogP4.06
Rot. Bonds6

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

1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine (PubChem CID 3778765) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine.

Molecular Properties

Compound Name1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
PubChem CID3778765
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC Name1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine
SMILES[H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN3O/c1-2-11-21-16-5-3-4-6-17(16)22(18(21)20)12-13-23-15-9-7-14(19)8-10-15/h3-10,20H,2,11-13H2,1H3/b20-18+
InChIKeyVAOZPMIRGSLPLA-CZIZESTLSA-N
XLogP4.06
TPSA42.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(4-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine
CID 3356244
1-[2-(4-bromophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272705
1-[3-(4-chlorophenoxy)propyl]-3-[(4-chlorophenyl)methyl]benzimidazol-2-imine
CID 17272675
1-[2-(2-chlorophenoxy)ethyl]-3-[3-(4-chlorophenoxy)propyl]benzimidazol-2-imine
CID 17272709
(2R)-1-(4-chlorophenoxy)-3-(2-imino-3-propylbenzimidazol-1-yl)propan-2-ol
CID 1118373
1-[3-(4-chlorophenoxy)propyl]-3-(2-methylpropyl)benzimidazol-2-imine
CID 17272669
1-ethyl-3-(2-phenoxyethyl)benzimidazol-2-imine
CID 762258
2-[3-[2-(4-chlorophenoxy)ethyl]-2-iminobenzimidazol-1-yl]acetamide;hydrochloride
CID 17370592
4-chloro-1-[2-(4-chlorophenoxy)ethyl]-3-methylbenzimidazol-2-imine;hydrobromide
CID 86288558
1-[2-(2-methylphenoxy)ethyl]-3-propylbenzimidazol-2-imine;hydrobromide
CID 2932291
1-benzyl-3-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-imine
CID 1050683
1-[3-(4-chlorophenoxy)propyl]-3-[(3,4-dichlorophenyl)methyl]benzimidazol-2-imine
CID 17272687

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine?
The IUPAC name of 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine (CID 3778765) is 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine.
What is the SMILES notation for 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine?
The canonical SMILES for 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine is [H]/N=c1\n(CCC)c2ccccc2n1CCOc1ccc(Cl)cc1.
What is the InChIKey of 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine?
The InChIKey is VAOZPMIRGSLPLA-CZIZESTLSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-2-11-21-16-5-3-4-6-17(16)22(18(21)20)12-13-23-15-9-7-14(19)8-10-15/h3-10,20H,2,11-13H2,1H3/b20-18+.
What are the key properties of 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine?
1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine has a molecular weight of 329.83 g/mol, XLogP of 4.06, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-chlorophenoxy)ethyl]-3-propylbenzimidazol-2-imine is sourced from PubChem (CID 3778765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).