2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole

C7H12N2S — CID 54259934

IUPAC2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESC=CCSCC1=NCCN1
InChIInChI=1S/C7H12N2S/c1-2-5-10-6-7-8-3-4-9-7/h2H,1,3-6H2,(H,8,9)
InChIKeyOIZDMLSOBBVVPC-UHFFFAOYSA-N
MW156.25 g/mol
LogP0.91
Rot. Bonds4

About 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole

2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole (PubChem CID 54259934) has the molecular formula C7H12N2S and a molecular weight of 156.25 g/mol. Its IUPAC name is 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole
PubChem CID54259934
Molecular FormulaC7H12N2S
Molecular Weight156.25 g/mol
Exact Mass156.07
IUPAC Name2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole
SMILESC=CCSCC1=NCCN1
InChIInChI=1S/C7H12N2S/c1-2-5-10-6-7-8-3-4-9-7/h2H,1,3-6H2,(H,8,9)
InChIKeyOIZDMLSOBBVVPC-UHFFFAOYSA-N
XLogP0.91
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.25
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole (CID 54259934) is 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole is C=CCSCC1=NCCN1.
What is the InChIKey of 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
The InChIKey is OIZDMLSOBBVVPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2S/c1-2-5-10-6-7-8-3-4-9-7/h2H,1,3-6H2,(H,8,9).
What are the key properties of 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole?
2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole has a molecular weight of 156.25 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(prop-2-enylsulfanylmethyl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 54259934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).