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

C20H22N2O — CID 24895543

IUPAC1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(OC(CCn2ccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-16-3-7-18(8-4-16)20(11-13-22-14-12-21-15-22)23-19-9-5-17(2)6-10-19/h3-10,12,14-15,20H,11,13H2,1-2H3
InChIKeyBENZUTZXPHHDNV-UHFFFAOYSA-N
MW306.41 g/mol
LogP4.71
Rot. Bonds6

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

1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole (PubChem CID 24895543) has the molecular formula C20H22N2O and a molecular weight of 306.41 g/mol. Its IUPAC name is 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole
PubChem CID24895543
Molecular FormulaC20H22N2O
Molecular Weight306.41 g/mol
Exact Mass306.17
IUPAC Name1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(OC(CCn2ccnc2)c2ccc(C)cc2)cc1
InChIInChI=1S/C20H22N2O/c1-16-3-7-18(8-4-16)20(11-13-22-14-12-21-15-22)23-19-9-5-17(2)6-10-19/h3-10,12,14-15,20H,11,13H2,1-2H3
InChIKeyBENZUTZXPHHDNV-UHFFFAOYSA-N
XLogP4.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The IUPAC name of 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole (CID 24895543) is 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole is Cc1ccc(OC(CCn2ccnc2)c2ccc(C)cc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The InChIKey is BENZUTZXPHHDNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O/c1-16-3-7-18(8-4-16)20(11-13-22-14-12-21-15-22)23-19-9-5-17(2)6-10-19/h3-10,12,14-15,20H,11,13H2,1-2H3.
What are the key properties of 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole has a molecular weight of 306.41 g/mol, XLogP of 4.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole is sourced from PubChem (CID 24895543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).