1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole

C20H18Cl2N2O — CID 70527103

IUPAC1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole
SMILESCC(=Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1)Cn1ccnc1C
InChIInChI=1S/C20H18Cl2N2O/c1-14(13-24-10-9-23-15(24)2)11-16-3-6-18(7-4-16)25-20-8-5-17(21)12-19(20)22/h3-12H,13H2,1-2H3
InChIKeyUCEKXCPVJYMOQU-UHFFFAOYSA-N
MW373.28 g/mol
LogP6.39
Rot. Bonds5

About 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole

1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole (PubChem CID 70527103) has the molecular formula C20H18Cl2N2O and a molecular weight of 373.28 g/mol. Its IUPAC name is 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole
PubChem CID70527103
Molecular FormulaC20H18Cl2N2O
Molecular Weight373.28 g/mol
Exact Mass372.08
IUPAC Name1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole
SMILESCC(=Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1)Cn1ccnc1C
InChIInChI=1S/C20H18Cl2N2O/c1-14(13-24-10-9-23-15(24)2)11-16-3-6-18(7-4-16)25-20-8-5-17(21)12-19(20)22/h3-12H,13H2,1-2H3
InChIKeyUCEKXCPVJYMOQU-UHFFFAOYSA-N
XLogP6.39
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500373.28
LogP ≤ 56.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(2,4-dichlorophenoxy)-3-(2-methylimidazol-1-yl)propan-2-ol
CID 697663
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-ol
CID 70525917
4-methyl-1-(2-methylimidazol-1-yl)pent-3-en-2-one
CID 131186404
1-[4-(4-chlorophenoxy)phenyl]-4-(2-methylimidazol-1-yl)butan-1-one
CID 154338771
CID 152744474
CID 152744474
3-chloro-4-[2-(2-methylimidazol-1-yl)ethoxy]aniline
CID 54961449
1-[2-(4-chloro-3-fluorophenoxy)ethyl]-2-methylimidazole
CID 82727722
2-(2,4-dichlorophenoxy)-N-[2-methyl-3-(2-methylimidazol-1-yl)propyl]propanamide
CID 60559289
1-[3-[4-(2,4-dichlorophenoxy)phenyl]but-2-enyl]piperazine
CID 54552754
[4-(2,4-dichlorophenoxy)anilino] acetate
CID 154699813
1-[4-(3,4-dichlorophenoxy)butyl]-2-methylimidazole
CID 75396526
1-[5-chloro-2-[2-(2-methylimidazol-1-yl)ethoxy]phenyl]-N-methylmethanamine
CID 61493141

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole?
The IUPAC name of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole (CID 70527103) is 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole.
What is the SMILES notation for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole?
The canonical SMILES for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole is CC(=Cc1ccc(Oc2ccc(Cl)cc2Cl)cc1)Cn1ccnc1C.
What is the InChIKey of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole?
The InChIKey is UCEKXCPVJYMOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2O/c1-14(13-24-10-9-23-15(24)2)11-16-3-6-18(7-4-16)25-20-8-5-17(21)12-19(20)22/h3-12H,13H2,1-2H3.
What are the key properties of 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole?
1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole has a molecular weight of 373.28 g/mol, XLogP of 6.39, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2,4-dichlorophenoxy)phenyl]-2-methylprop-2-enyl]-2-methylimidazole is sourced from PubChem (CID 70527103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).