1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole

C18H28N2S — CID 21424079

IUPAC1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole
SMILESCCCSC(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2S/c1-2-5-21-17(12-20-4-3-19-13-20)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-4,13-17H,2,5-12H2,1H3
InChIKeyOSHWPKVETJFXOC-UHFFFAOYSA-N
MW304.50 g/mol
LogP4.61
Rot. Bonds6

About 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole

1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole (PubChem CID 21424079) has the molecular formula C18H28N2S and a molecular weight of 304.50 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole
PubChem CID21424079
Molecular FormulaC18H28N2S
Molecular Weight304.50 g/mol
Exact Mass304.20
IUPAC Name1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole
SMILESCCCSC(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C18H28N2S/c1-2-5-21-17(12-20-4-3-19-13-20)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-4,13-17H,2,5-12H2,1H3
InChIKeyOSHWPKVETJFXOC-UHFFFAOYSA-N
XLogP4.61
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(1-adamantyl)-2-phenylsulfanylethyl]imidazole
CID 21424033
1-[2-(1-adamantyl)-2-(4-tert-butyl-2-methylphenyl)sulfanylethyl]imidazole
CID 21424039
1-[2-(1-adamantyl)-2-(3-bromo-4-methylphenyl)sulfanylethyl]imidazole
CID 21424088
1-(2-propylsulfanyldecyl)imidazole
CID 21397909
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole
CID 21424107
1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole
CID 21424100
1-(2-methylbutyl)imidazole
CID 59161437
N-[1-(1-adamantyl)-2-pyrazol-1-ylethyl]propan-1-amine
CID 63469177
1-[2-(2,4-dichlorophenyl)-2-propylsulfanylethyl]imidazole
CID 21402411
1-ethylimidazole;hydroiodide
CID 66751695
1-imidazol-1-ylpentan-2-amine
CID 62041882

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole?
The IUPAC name of 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole (CID 21424079) is 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole.
What is the SMILES notation for 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole?
The canonical SMILES for 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole is CCCSC(Cn1ccnc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole?
The InChIKey is OSHWPKVETJFXOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2S/c1-2-5-21-17(12-20-4-3-19-13-20)18-9-14-6-15(10-18)8-16(7-14)11-18/h3-4,13-17H,2,5-12H2,1H3.
What are the key properties of 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole?
1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole has a molecular weight of 304.50 g/mol, XLogP of 4.61, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole is sourced from PubChem (CID 21424079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).