4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione

C10H14N2S — CID 11506623

IUPAC4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1=CC(Cc2c[nH]c(=S)[nH]2)CC1
InChIInChI=1S/C10H14N2S/c1-7-2-3-8(4-7)5-9-6-11-10(13)12-9/h4,6,8H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyVDERHMOKWVJRGR-UHFFFAOYSA-N
MW194.30 g/mol
LogP2.97
Rot. Bonds2

About 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione

4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione (PubChem CID 11506623) has the molecular formula C10H14N2S and a molecular weight of 194.30 g/mol. Its IUPAC name is 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
PubChem CID11506623
Molecular FormulaC10H14N2S
Molecular Weight194.30 g/mol
Exact Mass194.09
IUPAC Name4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione
SMILESCC1=CC(Cc2c[nH]c(=S)[nH]2)CC1
InChIInChI=1S/C10H14N2S/c1-7-2-3-8(4-7)5-9-6-11-10(13)12-9/h4,6,8H,2-3,5H2,1H3,(H2,11,12,13)
InChIKeyVDERHMOKWVJRGR-UHFFFAOYSA-N
XLogP2.97
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.30
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione (CID 11506623) is 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione is CC1=CC(Cc2c[nH]c(=S)[nH]2)CC1.
What is the InChIKey of 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is VDERHMOKWVJRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2S/c1-7-2-3-8(4-7)5-9-6-11-10(13)12-9/h4,6,8H,2-3,5H2,1H3,(H2,11,12,13).
What are the key properties of 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione?
4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 194.30 g/mol, XLogP of 2.97, 2 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylcyclopent-2-en-1-yl)methyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 11506623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).