1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole

C20H21ClN2O — CID 24895176

IUPAC1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H21ClN2O/c1-15-3-5-17(6-4-15)20(9-11-23-12-10-22-14-23)24-19-8-7-18(21)13-16(19)2/h3-8,10,12-14,20H,9,11H2,1-2H3
InChIKeyTUKCDTHIERMZLR-UHFFFAOYSA-N
MW340.85 g/mol
LogP5.36
Rot. Bonds6

About 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole

1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole (PubChem CID 24895176) has the molecular formula C20H21ClN2O and a molecular weight of 340.85 g/mol. Its IUPAC name is 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole
PubChem CID24895176
Molecular FormulaC20H21ClN2O
Molecular Weight340.85 g/mol
Exact Mass340.13
IUPAC Name1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(Cl)cc2C)cc1
InChIInChI=1S/C20H21ClN2O/c1-15-3-5-17(6-4-15)20(9-11-23-12-10-22-14-23)24-19-8-7-18(21)13-16(19)2/h3-8,10,12-14,20H,9,11H2,1-2H3
InChIKeyTUKCDTHIERMZLR-UHFFFAOYSA-N
XLogP5.36
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.85
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The IUPAC name of 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole (CID 24895176) is 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole is Cc1ccc(C(CCn2ccnc2)Oc2ccc(Cl)cc2C)cc1.
What is the InChIKey of 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
The InChIKey is TUKCDTHIERMZLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O/c1-15-3-5-17(6-4-15)20(9-11-23-12-10-22-14-23)24-19-8-7-18(21)13-16(19)2/h3-8,10,12-14,20H,9,11H2,1-2H3.
What are the key properties of 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole?
1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole has a molecular weight of 340.85 g/mol, XLogP of 5.36, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-chloro-2-methylphenoxy)-3-(4-methylphenyl)propyl]imidazole is sourced from PubChem (CID 24895176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).