1-(2-propylsulfanyldecyl)imidazole

C16H30N2S — CID 21397909

IUPAC1-(2-propylsulfanyldecyl)imidazole
SMILESCCCCCCCCC(Cn1ccnc1)SCCC
InChIInChI=1S/C16H30N2S/c1-3-5-6-7-8-9-10-16(19-13-4-2)14-18-12-11-17-15-18/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyIKOFVNJEANECEF-UHFFFAOYSA-N
MW282.50 g/mol
LogP5.15
Rot. Bonds12

About 1-(2-propylsulfanyldecyl)imidazole

1-(2-propylsulfanyldecyl)imidazole (PubChem CID 21397909) has the molecular formula C16H30N2S and a molecular weight of 282.50 g/mol. Its IUPAC name is 1-(2-propylsulfanyldecyl)imidazole.

Molecular Properties

Compound Name1-(2-propylsulfanyldecyl)imidazole
PubChem CID21397909
Molecular FormulaC16H30N2S
Molecular Weight282.50 g/mol
Exact Mass282.21
IUPAC Name1-(2-propylsulfanyldecyl)imidazole
SMILESCCCCCCCCC(Cn1ccnc1)SCCC
InChIInChI=1S/C16H30N2S/c1-3-5-6-7-8-9-10-16(19-13-4-2)14-18-12-11-17-15-18/h11-12,15-16H,3-10,13-14H2,1-2H3
InChIKeyIKOFVNJEANECEF-UHFFFAOYSA-N
XLogP5.15
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.50
LogP ≤ 55.15
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-heptylsulfanylheptyl)imidazole
CID 21398038
1-(2-ethyltridecyl)imidazole;hydrochloride
CID 175493455
1-[2-[(2,4-dichlorophenyl)methylsulfanyl]decyl]imidazole
CID 21415121
1-[2-(4-chlorophenyl)sulfanylheptyl]imidazole
CID 21415296
1-(3-benzylsulfanyl-2-octylsulfanylpropyl)imidazole
CID 21423847
1-(3-butoxy-2-dodecylsulfanylpropyl)imidazole;oxalic acid
CID 21423942
1-ethylimidazole;octane
CID 145297576
N-(1-imidazol-1-ylpropan-2-yl)pentan-1-amine
CID 43749599
N-(2-imidazol-1-ylethyl)heptan-2-amine
CID 60688086
1-(3-dodecylsulfanyl-2-phenylsulfanylpropyl)imidazole
CID 21423844
1-(2-heptylsulfanyl-2-phenylethyl)imidazole
CID 21402516
1-[2-(4-bromophenyl)decyl]imidazole
CID 3006849

Frequently Asked Questions

What is the IUPAC name of 1-(2-propylsulfanyldecyl)imidazole?
The IUPAC name of 1-(2-propylsulfanyldecyl)imidazole (CID 21397909) is 1-(2-propylsulfanyldecyl)imidazole.
What is the SMILES notation for 1-(2-propylsulfanyldecyl)imidazole?
The canonical SMILES for 1-(2-propylsulfanyldecyl)imidazole is CCCCCCCCC(Cn1ccnc1)SCCC.
What is the InChIKey of 1-(2-propylsulfanyldecyl)imidazole?
The InChIKey is IKOFVNJEANECEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N2S/c1-3-5-6-7-8-9-10-16(19-13-4-2)14-18-12-11-17-15-18/h11-12,15-16H,3-10,13-14H2,1-2H3.
What are the key properties of 1-(2-propylsulfanyldecyl)imidazole?
1-(2-propylsulfanyldecyl)imidazole has a molecular weight of 282.50 g/mol, XLogP of 5.15, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-propylsulfanyldecyl)imidazole is sourced from PubChem (CID 21397909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).