1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole

C20H28Cl2N2S — CID 21415121

IUPAC1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
SMILESCCCCCCCCC(Cn1ccnc1)SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H28Cl2N2S/c1-2-3-4-5-6-7-8-19(14-24-12-11-23-16-24)25-15-17-9-10-18(21)13-20(17)22/h9-13,16,19H,2-8,14-15H2,1H3
InChIKeyNZMKKIQBOJJETF-UHFFFAOYSA-N
MW399.43 g/mol
LogP7.24
Rot. Bonds12

About 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole

1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole (PubChem CID 21415121) has the molecular formula C20H28Cl2N2S and a molecular weight of 399.43 g/mol. Its IUPAC name is 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole.

Molecular Properties

Compound Name1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
PubChem CID21415121
Molecular FormulaC20H28Cl2N2S
Molecular Weight399.43 g/mol
Exact Mass398.14
IUPAC Name1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
SMILESCCCCCCCCC(Cn1ccnc1)SCc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H28Cl2N2S/c1-2-3-4-5-6-7-8-19(14-24-12-11-23-16-24)25-15-17-9-10-18(21)13-20(17)22/h9-13,16,19H,2-8,14-15H2,1H3
InChIKeyNZMKKIQBOJJETF-UHFFFAOYSA-N
XLogP7.24
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500399.43
LogP ≤ 57.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-[3-[(2,4-dichlorophenyl)methylsulfanyl]nonyl]imidazole
CID 21415321
1-[2-(4-butoxyphenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402393
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296
1-[3-(2,4-dichlorophenyl)sulfanyloctyl]imidazole
CID 21415098
1-[2-(3,4-dichlorophenyl)-2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]imidazole
CID 21402379
1-(2-propylsulfanyldecyl)imidazole
CID 21397909
1-[(2,4-dichlorophenyl)methylsulfanyl]-3-imidazol-1-ylpropan-1-ol
CID 20572789
1-[2-[(4-chlorophenyl)methylsulfanyl]-3-hexylsulfanylpropyl]imidazole
CID 54114920
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]-2-(2-propan-2-ylcyclohexyl)ethyl]imidazole
CID 21415400
1-[3-(2,4-dichlorophenyl)-3-octylsulfanylpropyl]imidazole
CID 21415180
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-[3-(3,4-dichlorophenyl)sulfanylundecyl]imidazole
CID 21415167

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole?
The IUPAC name of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole (CID 21415121) is 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole.
What is the SMILES notation for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole?
The canonical SMILES for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole is CCCCCCCCC(Cn1ccnc1)SCc1ccc(Cl)cc1Cl.
What is the InChIKey of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole?
The InChIKey is NZMKKIQBOJJETF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28Cl2N2S/c1-2-3-4-5-6-7-8-19(14-24-12-11-23-16-24)25-15-17-9-10-18(21)13-20(17)22/h9-13,16,19H,2-8,14-15H2,1H3.
What are the key properties of 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole?
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole has a molecular weight of 399.43 g/mol, XLogP of 7.24, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole is sourced from PubChem (CID 21415121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).