1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole

C19H18Cl2N2O — CID 3012224

IUPAC1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c1-14-2-4-15(5-3-14)18(8-10-23-11-9-22-13-23)24-19-7-6-16(20)12-17(19)21/h2-7,9,11-13,18H,8,10H2,1H3
InChIKeyPLELFTRFMQYUIS-UHFFFAOYSA-N
MW361.27 g/mol
LogP5.71
Rot. Bonds6

About 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole

1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole (PubChem CID 3012224) has the molecular formula C19H18Cl2N2O and a molecular weight of 361.27 g/mol. Its IUPAC name is 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole.

Molecular Properties

Compound Name1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
PubChem CID3012224
Molecular FormulaC19H18Cl2N2O
Molecular Weight361.27 g/mol
Exact Mass360.08
IUPAC Name1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole
SMILESCc1ccc(C(CCn2ccnc2)Oc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C19H18Cl2N2O/c1-14-2-4-15(5-3-14)18(8-10-23-11-9-22-13-23)24-19-7-6-16(20)12-17(19)21/h2-7,9,11-13,18H,8,10H2,1H3
InChIKeyPLELFTRFMQYUIS-UHFFFAOYSA-N
XLogP5.71
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500361.27
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
1-[3-(4-tert-butylphenoxy)-3-(4-methylphenyl)propyl]imidazole
CID 24895544
1-[6-(4-chloro-2-methylphenoxy)hexyl]imidazole;hydrochloride
CID 18921924
1-[4-(2,4-dichlorophenoxy)phenyl]-2-imidazol-1-ylethanol
CID 20525170
4-(2,4-dichlorophenoxy)-N-(3-imidazol-1-ylpropyl)butanamide
CID 2842888
1-[3-(2,4-dichlorophenyl)sulfanyloctyl]imidazole
CID 21415098
1-[3-(4-bromophenyl)-3-phenoxypropyl]imidazole
CID 59331953
1-[3-(2,4-dichlorophenyl)-3-pentylsulfanylpropyl]imidazole
CID 21415372
O-(2,4-dichlorophenyl) [1-(4-chlorophenyl)-2-imidazol-1-ylethyl]sulfanylmethanethioate
CID 54050491
1-[3-(2,4-dichlorophenyl)-3-octylsulfanylpropyl]imidazole
CID 21415180
1-[7-(2-chloro-4-methoxyphenoxy)heptyl]imidazole
CID 19378833
1-[5-(2-chloro-4-methoxyphenoxy)pentyl]imidazole
CID 18921807

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole?
The IUPAC name of 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole (CID 3012224) is 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole.
What is the SMILES notation for 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole?
The canonical SMILES for 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole is Cc1ccc(C(CCn2ccnc2)Oc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole?
The InChIKey is PLELFTRFMQYUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2N2O/c1-14-2-4-15(5-3-14)18(8-10-23-11-9-22-13-23)24-19-7-6-16(20)12-17(19)21/h2-7,9,11-13,18H,8,10H2,1H3.
What are the key properties of 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole?
1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole has a molecular weight of 361.27 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,4-dichlorophenoxy)-3-(4-methylphenyl)propyl]imidazole is sourced from PubChem (CID 3012224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).