1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole

C11H18N2S2 — CID 13365927

IUPAC1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole
SMILESCCCC1(CCn2ccnc2)SCCS1
InChIInChI=1S/C11H18N2S2/c1-2-3-11(14-8-9-15-11)4-6-13-7-5-12-10-13/h5,7,10H,2-4,6,8-9H2,1H3
InChIKeyAQKCJULPHPKGNF-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.25
Rot. Bonds5

About 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole

1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole (PubChem CID 13365927) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole
PubChem CID13365927
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole
SMILESCCCC1(CCn2ccnc2)SCCS1
InChIInChI=1S/C11H18N2S2/c1-2-3-11(14-8-9-15-11)4-6-13-7-5-12-10-13/h5,7,10H,2-4,6,8-9H2,1H3
InChIKeyAQKCJULPHPKGNF-UHFFFAOYSA-N
XLogP3.25
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2-octyl-1,3-dithiolan-2-yl)methyl]imidazole
CID 13365931
1-[2-[2-[(4-chlorophenyl)methyl]-1,3-dithiolan-2-yl]ethyl]imidazole
CID 20518875
1-[2-[4-butyl-2-[2-(4-ethylphenyl)ethyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518379
1-[2-[4-ethyl-2-[(2,4,6-trichlorophenyl)methyl]-1,3-dithian-2-yl]ethyl]imidazole
CID 20518578
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-ethyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518821
1-(2-imidazol-1-ylethyl)cyclopropan-1-ol
CID 84649635
sodium;1-butylimidazole;bromide
CID 175480877
1-ethylimidazole;hydroiodide
CID 66751695
copper;1-ethylimidazole
CID 118057388
1-butylimidazole;1-ethylimidazole;1-propylimidazole
CID 143151765
1-[2-[2-[(2,4-dichlorophenyl)methyl]-4-methyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518671
1-[[2-[2-(4-ethoxyphenyl)ethyl]-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518645

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole?
The IUPAC name of 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole (CID 13365927) is 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole.
What is the SMILES notation for 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole?
The canonical SMILES for 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole is CCCC1(CCn2ccnc2)SCCS1.
What is the InChIKey of 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole?
The InChIKey is AQKCJULPHPKGNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-2-3-11(14-8-9-15-11)4-6-13-7-5-12-10-13/h5,7,10H,2-4,6,8-9H2,1H3.
What are the key properties of 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole?
1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole has a molecular weight of 242.41 g/mol, XLogP of 3.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-propyl-1,3-dithiolan-2-yl)ethyl]imidazole is sourced from PubChem (CID 13365927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).