2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole

C10H19N3S — CID 169004918

IUPAC2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
SMILESC1CCN(CCCSC2=NCCN2)C1
InChIInChI=1S/C10H19N3S/c1-2-7-13(6-1)8-3-9-14-10-11-4-5-12-10/h1-9H2,(H,11,12)
InChIKeyZFIZTYDOAVIPOK-UHFFFAOYSA-N
MW213.35 g/mol
LogP1.16
Rot. Bonds4

About 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole

2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole (PubChem CID 169004918) has the molecular formula C10H19N3S and a molecular weight of 213.35 g/mol. Its IUPAC name is 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
PubChem CID169004918
Molecular FormulaC10H19N3S
Molecular Weight213.35 g/mol
Exact Mass213.13
IUPAC Name2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole
SMILESC1CCN(CCCSC2=NCCN2)C1
InChIInChI=1S/C10H19N3S/c1-2-7-13(6-1)8-3-9-14-10-11-4-5-12-10/h1-9H2,(H,11,12)
InChIKeyZFIZTYDOAVIPOK-UHFFFAOYSA-N
XLogP1.16
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.35
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole (CID 169004918) is 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole is C1CCN(CCCSC2=NCCN2)C1.
What is the InChIKey of 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole?
The InChIKey is ZFIZTYDOAVIPOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3S/c1-2-7-13(6-1)8-3-9-14-10-11-4-5-12-10/h1-9H2,(H,11,12).
What are the key properties of 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole?
2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole has a molecular weight of 213.35 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-pyrrolidin-1-ylpropylsulfanyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 169004918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).