1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole

C21H26Cl2N2O — CID 10691952

IUPAC1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
SMILESCC(C)=CCC/C(C)=C\COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H26Cl2N2O/c1-16(2)5-4-6-17(3)9-12-26-21(14-25-11-10-24-15-25)19-8-7-18(22)13-20(19)23/h5,7-11,13,15,21H,4,6,12,14H2,1-3H3/b17-9-
InChIKeyKUJPUHSUDJSBKU-MFOYZWKCSA-N
MW393.36 g/mol
LogP6.64
Rot. Bonds9

About 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole

1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole (PubChem CID 10691952) has the molecular formula C21H26Cl2N2O and a molecular weight of 393.36 g/mol. Its IUPAC name is 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
PubChem CID10691952
Molecular FormulaC21H26Cl2N2O
Molecular Weight393.36 g/mol
Exact Mass392.14
IUPAC Name1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole
SMILESCC(C)=CCC/C(C)=C\COC(Cn1ccnc1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C21H26Cl2N2O/c1-16(2)5-4-6-17(3)9-12-26-21(14-25-11-10-24-15-25)19-8-7-18(22)13-20(19)23/h5,7-11,13,15,21H,4,6,12,14H2,1-3H3/b17-9-
InChIKeyKUJPUHSUDJSBKU-MFOYZWKCSA-N
XLogP6.64
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.36
LogP ≤ 56.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[2-(2,4-dichlorophenyl)-2-(2-methylprop-2-enoxy)ethyl]imidazole
CID 3009144
(Z)-1-(2,4-dichlorophenyl)-N-[(2E)-3,7-dimethylocta-2,6-dienoxy]-2-imidazol-1-ylethanimine
CID 139633662
1-[2-(2,4-dichlorophenyl)-2-pent-4-enoxyethyl]imidazole
CID 3009148
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[2-(2,4-dichlorophenyl)-2-prop-1-enoxyethyl]imidazole
CID 54337740
1-[2-(2,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methoxy]ethyl]imidazole
CID 3760
1-[2-[[4-(4-chlorophenyl)phenyl]methoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 51001700
1-[2-(2,4-dichlorophenyl)-2-[2-(2,4,5-trichlorophenyl)sulfanylethoxy]ethyl]imidazole
CID 154207042
O-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethyl] carbamothioate
CID 140542063
1-[2-[3-(4-chlorophenoxy)propoxy]-2-(2,4-dichlorophenyl)ethyl]imidazole
CID 3054320
ethyl 6-[1-(2,4-dichlorophenyl)-2-imidazol-1-ylethoxy]hexanoate
CID 139779356
tris(1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole);bis(nitric acid)
CID 173294934

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole (CID 10691952) is 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole is CC(C)=CCC/C(C)=C\COC(Cn1ccnc1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole?
The InChIKey is KUJPUHSUDJSBKU-MFOYZWKCSA-N. The full InChI is InChI=1S/C21H26Cl2N2O/c1-16(2)5-4-6-17(3)9-12-26-21(14-25-11-10-24-15-25)19-8-7-18(22)13-20(19)23/h5,7-11,13,15,21H,4,6,12,14H2,1-3H3/b17-9-.
What are the key properties of 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole?
1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole has a molecular weight of 393.36 g/mol, XLogP of 6.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2,4-dichlorophenyl)-2-[(2Z)-3,7-dimethylocta-2,6-dienoxy]ethyl]imidazole is sourced from PubChem (CID 10691952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).