4,5-dipentyl-1,3-dihydroimidazole-2-thione

C13H24N2S — CID 69452167

IUPAC4,5-dipentyl-1,3-dihydroimidazole-2-thione
SMILESCCCCCc1[nH]c(=S)[nH]c1CCCCC
InChIInChI=1S/C13H24N2S/c1-3-5-7-9-11-12(10-8-6-4-2)15-13(16)14-11/h3-10H2,1-2H3,(H2,14,15,16)
InChIKeyVAGHLDBRLYQURN-UHFFFAOYSA-N
MW240.42 g/mol
LogP4.54
Rot. Bonds8

About 4,5-dipentyl-1,3-dihydroimidazole-2-thione

4,5-dipentyl-1,3-dihydroimidazole-2-thione (PubChem CID 69452167) has the molecular formula C13H24N2S and a molecular weight of 240.42 g/mol. Its IUPAC name is 4,5-dipentyl-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4,5-dipentyl-1,3-dihydroimidazole-2-thione
PubChem CID69452167
Molecular FormulaC13H24N2S
Molecular Weight240.42 g/mol
Exact Mass240.17
IUPAC Name4,5-dipentyl-1,3-dihydroimidazole-2-thione
SMILESCCCCCc1[nH]c(=S)[nH]c1CCCCC
InChIInChI=1S/C13H24N2S/c1-3-5-7-9-11-12(10-8-6-4-2)15-13(16)14-11/h3-10H2,1-2H3,(H2,14,15,16)
InChIKeyVAGHLDBRLYQURN-UHFFFAOYSA-N
XLogP4.54
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.42
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4,5-dipentyl-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4,5-dipentyl-1,3-dihydroimidazole-2-thione (CID 69452167) is 4,5-dipentyl-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4,5-dipentyl-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4,5-dipentyl-1,3-dihydroimidazole-2-thione is CCCCCc1[nH]c(=S)[nH]c1CCCCC.
What is the InChIKey of 4,5-dipentyl-1,3-dihydroimidazole-2-thione?
The InChIKey is VAGHLDBRLYQURN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2S/c1-3-5-7-9-11-12(10-8-6-4-2)15-13(16)14-11/h3-10H2,1-2H3,(H2,14,15,16).
What are the key properties of 4,5-dipentyl-1,3-dihydroimidazole-2-thione?
4,5-dipentyl-1,3-dihydroimidazole-2-thione has a molecular weight of 240.42 g/mol, XLogP of 4.54, 8 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dipentyl-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 69452167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).