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

C9H19Cl2N3S — CID 13018885

IUPAC2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESC1CCN(CCSC2=NCCN2)C1.Cl.Cl
InChIInChI=1S/C9H17N3S.2ClH/c1-2-6-12(5-1)7-8-13-9-10-3-4-11-9;;/h1-8H2,(H,10,11);2*1H
InChIKeyJVBPMAOTOMSNQH-UHFFFAOYSA-N
MW272.25 g/mol
LogP1.62
Rot. Bonds3

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

2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride (PubChem CID 13018885) has the molecular formula C9H19Cl2N3S and a molecular weight of 272.25 g/mol. Its IUPAC name is 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
PubChem CID13018885
Molecular FormulaC9H19Cl2N3S
Molecular Weight272.25 g/mol
Exact Mass271.07
IUPAC Name2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride
SMILESC1CCN(CCSC2=NCCN2)C1.Cl.Cl
InChIInChI=1S/C9H17N3S.2ClH/c1-2-6-12(5-1)7-8-13-9-10-3-4-11-9;;/h1-8H2,(H,10,11);2*1H
InChIKeyJVBPMAOTOMSNQH-UHFFFAOYSA-N
XLogP1.62
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.25
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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1-[2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)ethyl]piperidine;dihydrochloride
CID 13018883
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole
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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
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CID 169004865
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
CID 169004918
2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine;dihydrochloride
CID 169004984
2-(4-pyrrolidin-1-ylbutylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169004985
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5,6,7-tetrahydro-1H-1,3-diazepine
CID 169005015
2-(4-Pyrrolidin-1-ylbutylsulfanyl)-1,4,5,6-tetrahydropyrimidine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride?
The IUPAC name of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride (CID 13018885) is 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride is C1CCN(CCSC2=NCCN2)C1.Cl.Cl.
What is the InChIKey of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride?
The InChIKey is JVBPMAOTOMSNQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3S.2ClH/c1-2-6-12(5-1)7-8-13-9-10-3-4-11-9;;/h1-8H2,(H,10,11);2*1H.
What are the key properties of 2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride?
2-(2-pyrrolidin-1-ylethylsulfanyl)-4,5-dihydro-1H-imidazole;dihydrochloride has a molecular weight of 272.25 g/mol, XLogP of 1.62, 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;dihydrochloride is sourced from PubChem (CID 13018885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).