(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine

C21H25Cl2N3O — CID 139633662

IUPAC(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine
SMILESCC(C)=CCC/C(C)=C/CO/N=C(\Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3O/c1-16(2)5-4-6-17(3)9-12-27-25-21(14-26-11-10-24-15-26)19-8-7-18(22)13-20(19)23/h5,7-11,13,15H,4,6,12,14H2,1-3H3/b17-9+,25-21+
InChIKeyCAWHDHUENRDMHU-KPQQKVHQSA-N
MW406.36 g/mol
LogP6.30
Rot. Bonds9

About (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine

(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine (PubChem CID 139633662) has the molecular formula C21H25Cl2N3O and a molecular weight of 406.36 g/mol. Its IUPAC name is (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine.

Molecular Properties

Compound Name(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine
PubChem CID139633662
Molecular FormulaC21H25Cl2N3O
Molecular Weight406.36 g/mol
Exact Mass405.14
IUPAC Name(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine
SMILESCC(C)=CCC/C(C)=C/CO/N=C(\Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H25Cl2N3O/c1-16(2)5-4-6-17(3)9-12-27-25-21(14-26-11-10-24-15-26)19-8-7-18(22)13-20(19)23/h5,7-11,13,15H,4,6,12,14H2,1-3H3/b17-9+,25-21+
InChIKeyCAWHDHUENRDMHU-KPQQKVHQSA-N
XLogP6.30
TPSA39.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.36
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
CID 10691952
1-(2,4-dichlorophenyl)-2-imidazol-1-yl-N-prop-1-enoxyethanimine
CID 141174032
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
azonic acid;1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 159230946
1-[(E)-2,3-bis(2,4-dichlorophenyl)prop-2-enyl]imidazole;ethane-1,2-diol
CID 70500879
(Z)-1-(4-chlorophenyl)-N-[(4-chlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 88721100
1-[4-[2-(4-chlorophenyl)ethynyl]phenyl]-N-ethoxy-2-imidazol-1-ylethanimine
CID 123807521
(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
1-[4-(2,4-dichlorophenyl)phenyl]-2-imidazol-1-ylethanone
CID 57320594
1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole
CID 54042146
2-(2,4-dichlorophenyl)-1-imidazol-1-yl-3-prop-2-enoxypropan-2-ol
CID 3068282
S-[1-(4-chlorophenyl)-2-imidazol-1-ylethyl] 2,4-dichlorobenzenecarbothioate
CID 21422277

Frequently Asked Questions

What is the IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine?
The IUPAC name of (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine (CID 139633662) is (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine.
What is the SMILES notation for (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine?
The canonical SMILES for (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine is CC(C)=CCC/C(C)=C/CO/N=C(\Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine?
The InChIKey is CAWHDHUENRDMHU-KPQQKVHQSA-N. The full InChI is InChI=1S/C21H25Cl2N3O/c1-16(2)5-4-6-17(3)9-12-27-25-21(14-26-11-10-24-15-26)19-8-7-18(22)13-20(19)23/h5,7-11,13,15H,4,6,12,14H2,1-3H3/b17-9+,25-21+.
What are the key properties of (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine?
(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine has a molecular weight of 406.36 g/mol, XLogP of 6.30, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine is sourced from PubChem (CID 139633662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).