5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole

C11H16N2 — CID 134298742

IUPAC5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole
SMILESC#C/C(C)=C\C1CN=C(CCC)N1
InChIInChI=1S/C11H16N2/c1-4-6-11-12-8-10(13-11)7-9(3)5-2/h2,7,10H,4,6,8H2,1,3H3,(H,12,13)/b9-7-
InChIKeyHXUXGDVHYIJVHI-CLFYSBASSA-N
MW176.26 g/mol
LogP1.74
Rot. Bonds3

About 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole

5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole (PubChem CID 134298742) has the molecular formula C11H16N2 and a molecular weight of 176.26 g/mol. Its IUPAC name is 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole
PubChem CID134298742
Molecular FormulaC11H16N2
Molecular Weight176.26 g/mol
Exact Mass176.13
IUPAC Name5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole
SMILESC#C/C(C)=C\C1CN=C(CCC)N1
InChIInChI=1S/C11H16N2/c1-4-6-11-12-8-10(13-11)7-9(3)5-2/h2,7,10H,4,6,8H2,1,3H3,(H,12,13)/b9-7-
InChIKeyHXUXGDVHYIJVHI-CLFYSBASSA-N
XLogP1.74
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole?
The IUPAC name of 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole (CID 134298742) is 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole?
The canonical SMILES for 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole is C#C/C(C)=C\C1CN=C(CCC)N1.
What is the InChIKey of 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole?
The InChIKey is HXUXGDVHYIJVHI-CLFYSBASSA-N. The full InChI is InChI=1S/C11H16N2/c1-4-6-11-12-8-10(13-11)7-9(3)5-2/h2,7,10H,4,6,8H2,1,3H3,(H,12,13)/b9-7-.
What are the key properties of 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole?
5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole has a molecular weight of 176.26 g/mol, XLogP of 1.74, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-2-methylbut-1-en-3-ynyl]-2-propyl-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 134298742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).