4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione

C11H18N2S — CID 88917640

IUPAC4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione
SMILESCC/C=C\CC(C)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C11H18N2S/c1-3-4-5-6-9(2)7-10-8-12-11(14)13-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,12,13,14)/b5-4-
InChIKeyXIHKPKLMFGSGIU-PLNGDYQASA-N
MW210.35 g/mol
LogP3.61
Rot. Bonds5

About 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione

4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione (PubChem CID 88917640) has the molecular formula C11H18N2S and a molecular weight of 210.35 g/mol. Its IUPAC name is 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione.

Molecular Properties

Compound Name4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione
PubChem CID88917640
Molecular FormulaC11H18N2S
Molecular Weight210.35 g/mol
Exact Mass210.12
IUPAC Name4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione
SMILESCC/C=C\CC(C)Cc1c[nH]c(=S)[nH]1
InChIInChI=1S/C11H18N2S/c1-3-4-5-6-9(2)7-10-8-12-11(14)13-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,12,13,14)/b5-4-
InChIKeyXIHKPKLMFGSGIU-PLNGDYQASA-N
XLogP3.61
TPSA31.58 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 53.61
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-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione?
The IUPAC name of 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione (CID 88917640) is 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione.
What is the SMILES notation for 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione?
The canonical SMILES for 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione is CC/C=C\CC(C)Cc1c[nH]c(=S)[nH]1.
What is the InChIKey of 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione?
The InChIKey is XIHKPKLMFGSGIU-PLNGDYQASA-N. The full InChI is InChI=1S/C11H18N2S/c1-3-4-5-6-9(2)7-10-8-12-11(14)13-10/h4-5,8-9H,3,6-7H2,1-2H3,(H2,12,13,14)/b5-4-.
What are the key properties of 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione?
4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione has a molecular weight of 210.35 g/mol, XLogP of 3.61, 5 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(Z)-2-methylhept-4-enyl]-1,3-dihydroimidazole-2-thione is sourced from PubChem (CID 88917640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).