1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole

C20H18Cl2N2S — CID 54042146

IUPAC1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole
SMILESCC(=CCn1ccnc1)c1ccc(SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H18Cl2N2S/c1-15(8-10-24-11-9-23-14-24)16-3-6-19(7-4-16)25-13-17-2-5-18(21)12-20(17)22/h2-9,11-12,14H,10,13H2,1H3
InChIKeyLNCOEXUTEJWFTD-UHFFFAOYSA-N
MW389.35 g/mol
LogP6.59
Rot. Bonds6

About 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole

1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole (PubChem CID 54042146) has the molecular formula C20H18Cl2N2S and a molecular weight of 389.35 g/mol. Its IUPAC name is 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole.

Molecular Properties

Compound Name1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole
PubChem CID54042146
Molecular FormulaC20H18Cl2N2S
Molecular Weight389.35 g/mol
Exact Mass388.06
IUPAC Name1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole
SMILESCC(=CCn1ccnc1)c1ccc(SCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C20H18Cl2N2S/c1-15(8-10-24-11-9-23-14-24)16-3-6-19(7-4-16)25-13-17-2-5-18(21)12-20(17)22/h2-9,11-12,14H,10,13H2,1H3
InChIKeyLNCOEXUTEJWFTD-UHFFFAOYSA-N
XLogP6.59
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.35
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,4-dichlorophenyl)methylsulfanyl]-3-imidazol-1-ylpropan-1-ol
CID 20572789
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]methanol
CID 113371994
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
CID 21415121
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]imidazole
CID 21481605
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
1-[3-[(2,4-dichlorophenyl)methylsulfanyl]nonyl]imidazole
CID 21415321
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-2-(2-propan-2-ylcyclohexyl)ethyl]imidazole
CID 21415400
3-amino-1-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]-2-methylpropan-1-ol
CID 54178531
acetic acid;(Z)-1-(2,4-dichlorophenyl)-N-[(2,4-dichlorophenyl)methoxy]-2-imidazol-1-ylethanimine
CID 129184950
(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-dimethylsilane
CID 13392416
bis(2,4-dichlorophenyl)-(imidazol-1-ylmethyl)-methylsilane
CID 13392449

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole?
The IUPAC name of 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole (CID 54042146) is 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole.
What is the SMILES notation for 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole?
The canonical SMILES for 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole is CC(=CCn1ccnc1)c1ccc(SCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole?
The InChIKey is LNCOEXUTEJWFTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl2N2S/c1-15(8-10-24-11-9-23-14-24)16-3-6-19(7-4-16)25-13-17-2-5-18(21)12-20(17)22/h2-9,11-12,14H,10,13H2,1H3.
What are the key properties of 1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole?
1-[3-[4-[(2,4-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole has a molecular weight of 389.35 g/mol, XLogP of 6.59, 6 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-dichlorophenyl)methylsulfanyl]phenyl]but-2-enyl]imidazole is sourced from PubChem (CID 54042146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).