1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole

C20H20Cl2N2O2 — CID 70506825

IUPAC1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole
SMILESCOc1ccccc1OC(CCc1ccc(Cl)cc1Cl)Cn1ccnc1
InChIInChI=1S/C20H20Cl2N2O2/c1-25-19-4-2-3-5-20(19)26-17(13-24-11-10-23-14-24)9-7-15-6-8-16(21)12-18(15)22/h2-6,8,10-12,14,17H,7,9,13H2,1H3
InChIKeyMLYVDVRNMFZXSC-UHFFFAOYSA-N
MW391.30 g/mol
LogP5.28
Rot. Bonds8

About 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole

1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole (PubChem CID 70506825) has the molecular formula C20H20Cl2N2O2 and a molecular weight of 391.30 g/mol. Its IUPAC name is 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole.

Molecular Properties

Compound Name1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole
PubChem CID70506825
Molecular FormulaC20H20Cl2N2O2
Molecular Weight391.30 g/mol
Exact Mass390.09
IUPAC Name1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole
SMILESCOc1ccccc1OC(CCc1ccc(Cl)cc1Cl)Cn1ccnc1
InChIInChI=1S/C20H20Cl2N2O2/c1-25-19-4-2-3-5-20(19)26-17(13-24-11-10-23-14-24)9-7-15-6-8-16(21)12-18(15)22/h2-6,8,10-12,14,17H,7,9,13H2,1H3
InChIKeyMLYVDVRNMFZXSC-UHFFFAOYSA-N
XLogP5.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.30
LogP ≤ 55.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(2-chlorophenyl)-2-(2,4-dichlorophenyl)butyl]imidazole
CID 3006905
1-[4-(5-chlorothiophen-2-yl)-2-(2-methylphenoxy)butyl]imidazole
CID 23457675
1-[(4-chloro-2-methoxyphenyl)methyl]imidazole
CID 69219836
1-[2-(2,4-dichlorophenyl)-4-(2-fluorophenoxy)butyl]imidazole
CID 170562599
1-[2-(2,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methoxy]ethyl]imidazole;rhodium
CID 142358126
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethyl]imidazole
CID 21481629
1-[2-[2-[(2,4-dichlorophenyl)methoxy]phenyl]prop-2-enyl]imidazole;sulfuric acid
CID 14062132
1-[3-(2,4-dichlorophenoxy)-3-phenylpropyl]imidazole
CID 3012220
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
CID 21415121
N-[[2-chloro-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-3-imidazol-1-ylpropan-1-amine
CID 66529631
3-[(2,4-dichlorophenyl)methylsulfanyl]-5-[1-(2-methoxyphenoxy)ethyl]-4-phenyl-1,2,4-triazole
CID 43869385
2-(2,4-dichlorophenyl)-N-[(2-methoxyphenyl)methyl]ethanamine
CID 2162369

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole?
The IUPAC name of 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole (CID 70506825) is 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole.
What is the SMILES notation for 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole?
The canonical SMILES for 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole is COc1ccccc1OC(CCc1ccc(Cl)cc1Cl)Cn1ccnc1.
What is the InChIKey of 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole?
The InChIKey is MLYVDVRNMFZXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20Cl2N2O2/c1-25-19-4-2-3-5-20(19)26-17(13-24-11-10-23-14-24)9-7-15-6-8-16(21)12-18(15)22/h2-6,8,10-12,14,17H,7,9,13H2,1H3.
What are the key properties of 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole?
1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole has a molecular weight of 391.30 g/mol, XLogP of 5.28, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2,4-dichlorophenyl)-2-(2-methoxyphenoxy)butyl]imidazole is sourced from PubChem (CID 70506825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).