1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole

C23H26N2O2 — CID 155185662

IUPAC1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole
SMILESC/C(=C(/OCCOc1ccc(C)cc1)c1ccc(C)cc1C)n1ccnc1
InChIInChI=1S/C23H26N2O2/c1-17-5-8-21(9-6-17)26-13-14-27-23(20(4)25-12-11-24-16-25)22-10-7-18(2)15-19(22)3/h5-12,15-16H,13-14H2,1-4H3/b23-20-
InChIKeyJMVNILMBDIEEOE-ATJXCDBQSA-N
MW362.47 g/mol
LogP5.25
Rot. Bonds7

About 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole

1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole (PubChem CID 155185662) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole.

Molecular Properties

Compound Name1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole
PubChem CID155185662
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole
SMILESC/C(=C(/OCCOc1ccc(C)cc1)c1ccc(C)cc1C)n1ccnc1
InChIInChI=1S/C23H26N2O2/c1-17-5-8-21(9-6-17)26-13-14-27-23(20(4)25-12-11-24-16-25)22-10-7-18(2)15-19(22)3/h5-12,15-16H,13-14H2,1-4H3/b23-20-
InChIKeyJMVNILMBDIEEOE-ATJXCDBQSA-N
XLogP5.25
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.47
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole?
The IUPAC name of 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole (CID 155185662) is 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole.
What is the SMILES notation for 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole?
The canonical SMILES for 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole is C/C(=C(/OCCOc1ccc(C)cc1)c1ccc(C)cc1C)n1ccnc1.
What is the InChIKey of 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole?
The InChIKey is JMVNILMBDIEEOE-ATJXCDBQSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-17-5-8-21(9-6-17)26-13-14-27-23(20(4)25-12-11-24-16-25)22-10-7-18(2)15-19(22)3/h5-12,15-16H,13-14H2,1-4H3/b23-20-.
What are the key properties of 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole?
1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole has a molecular weight of 362.47 g/mol, XLogP of 5.25, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-1-(2,4-dimethylphenyl)-1-[2-(4-methylphenoxy)ethoxy]prop-1-en-2-yl]imidazole is sourced from PubChem (CID 155185662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).