1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole

C22H26N2O — CID 24895443

IUPAC1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O/c1-17(2)19-8-10-21(11-9-19)25-22(12-14-24-15-13-23-16-24)20-6-4-18(3)5-7-20/h4-11,13,15-17,22H,12,14H2,1-3H3
InChIKeyKVQWSAAUMHUOKQ-UHFFFAOYSA-N
MW334.46 g/mol
LogP5.53
Rot. Bonds7

About 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole

1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole (PubChem CID 24895443) has the molecular formula C22H26N2O and a molecular weight of 334.46 g/mol. Its IUPAC name is 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole
PubChem CID24895443
Molecular FormulaC22H26N2O
Molecular Weight334.46 g/mol
Exact Mass334.20
IUPAC Name1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(C(C)C)cc2)cc1
InChIInChI=1S/C22H26N2O/c1-17(2)19-8-10-21(11-9-19)25-22(12-14-24-15-13-23-16-24)20-6-4-18(3)5-7-20/h4-11,13,15-17,22H,12,14H2,1-3H3
InChIKeyKVQWSAAUMHUOKQ-UHFFFAOYSA-N
XLogP5.53
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500334.46
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole?
The IUPAC name of 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole (CID 24895443) is 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole?
The canonical SMILES for 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole is Cc1ccc(C(CCn2ccnc2)Oc2ccc(C(C)C)cc2)cc1.
What is the InChIKey of 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole?
The InChIKey is KVQWSAAUMHUOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N2O/c1-17(2)19-8-10-21(11-9-19)25-22(12-14-24-15-13-23-16-24)20-6-4-18(3)5-7-20/h4-11,13,15-17,22H,12,14H2,1-3H3.
What are the key properties of 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole?
1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole has a molecular weight of 334.46 g/mol, XLogP of 5.53, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylphenyl)-3-(4-propan-2-ylphenoxy)propyl]imidazole is sourced from PubChem (CID 24895443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).