2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole

C9H17N3S — CID 13018884

IUPAC2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
SMILESC1CCN(CCSC2=NCCN2)C1
InChIInChI=1S/C9H17N3S/c1-2-6-12(5-1)7-8-13-9-10-3-4-11-9/h1-8H2,(H,10,11)
InChIKeyWDWVXZPMCIBKEM-UHFFFAOYSA-N
MW199.32 g/mol
LogP0.77
Rot. Bonds3

About 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole

2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole (PubChem CID 13018884) has the molecular formula C9H17N3S and a molecular weight of 199.32 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
PubChem CID13018884
Molecular FormulaC9H17N3S
Molecular Weight199.32 g/mol
Exact Mass199.11
IUPAC Name2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
SMILESC1CCN(CCSC2=NCCN2)C1
InChIInChI=1S/C9H17N3S/c1-2-6-12(5-1)7-8-13-9-10-3-4-11-9/h1-8H2,(H,10,11)
InChIKeyWDWVXZPMCIBKEM-UHFFFAOYSA-N
XLogP0.77
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.32
LogP ≤ 50.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)propyl-trimethylazanium
CID 22745
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-diethylethanamine
CID 28298
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl-triethylazanium
CID 36843
5-Methyl-2-pyrrolidin-1-ium-1-ylidene-1,3-thiazolidine bromide
CID 17365713
3-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylpropan-1-amine
CID 13018876
1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine
CID 13018882
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
CID 13018885
4-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N,N-dimethylbutan-1-amine
CID 20213259
N-pyrrolidin-3-yl-4,5-dihydro-1,3-thiazol-2-amine
CID 57855145
3,4,5,6-tetrahydro-2H-imidazo[2,1-b][1,3]thiazol-4-ium chloride
CID 158099427
5-(4-Pyrrolidin-1-ylbutylsulfanyl)-4,6-diazaspiro[2.4]hept-5-ene
CID 169004866
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole (CID 13018884) is 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole is C1CCN(CCSC2=NCCN2)C1.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole?
The InChIKey is WDWVXZPMCIBKEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S/c1-2-6-12(5-1)7-8-13-9-10-3-4-11-9/h1-8H2,(H,10,11).
What are the key properties of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole?
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole has a molecular weight of 199.32 g/mol, XLogP of 0.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 13018884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).