1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole

C21H24N2O — CID 24895442

IUPAC1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCCc1ccc(OC(CCn2ccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O/c1-3-18-6-10-20(11-7-18)24-21(12-14-23-15-13-22-16-23)19-8-4-17(2)5-9-19/h4-11,13,15-16,21H,3,12,14H2,1-2H3
InChIKeyMDBSWRMRWMBEDO-UHFFFAOYSA-N
MW320.44 g/mol
LogP4.96
Rot. Bonds7

About 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole

1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole (PubChem CID 24895442) has the molecular formula C21H24N2O and a molecular weight of 320.44 g/mol. Its IUPAC name is 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole
PubChem CID24895442
Molecular FormulaC21H24N2O
Molecular Weight320.44 g/mol
Exact Mass320.19
IUPAC Name1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCCc1ccc(OC(CCn2ccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C21H24N2O/c1-3-18-6-10-20(11-7-18)24-21(12-14-23-15-13-22-16-23)19-8-4-17(2)5-9-19/h4-11,13,15-16,21H,3,12,14H2,1-2H3
InChIKeyMDBSWRMRWMBEDO-UHFFFAOYSA-N
XLogP4.96
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The IUPAC name of 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole (CID 24895442) is 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole is CCc1ccc(OC(CCn2ccnc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The InChIKey is MDBSWRMRWMBEDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O/c1-3-18-6-10-20(11-7-18)24-21(12-14-23-15-13-22-16-23)19-8-4-17(2)5-9-19/h4-11,13,15-16,21H,3,12,14H2,1-2H3.
What are the key properties of 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole has a molecular weight of 320.44 g/mol, XLogP of 4.96, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-ethylphenoxy)-3-(4-methylphenyl)propyl]imidazole is sourced from PubChem (CID 24895442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).