5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole

C12H18N2 — CID 90250381

IUPAC5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole
SMILESC=C/C=C\C1CN=CN1CC(C)C=C
InChIInChI=1S/C12H18N2/c1-4-6-7-12-8-13-10-14(12)9-11(3)5-2/h4-7,10-12H,1-2,8-9H2,3H3/b7-6-
InChIKeyXSHYGUYOMXPBKS-SREVYHEPSA-N
MW190.29 g/mol
LogP2.26
Rot. Bonds5

About 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole

5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole (PubChem CID 90250381) has the molecular formula C12H18N2 and a molecular weight of 190.29 g/mol. Its IUPAC name is 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole
PubChem CID90250381
Molecular FormulaC12H18N2
Molecular Weight190.29 g/mol
Exact Mass190.15
IUPAC Name5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole
SMILESC=C/C=C\C1CN=CN1CC(C)C=C
InChIInChI=1S/C12H18N2/c1-4-6-7-12-8-13-10-14(12)9-11(3)5-2/h4-7,10-12H,1-2,8-9H2,3H3/b7-6-
InChIKeyXSHYGUYOMXPBKS-SREVYHEPSA-N
XLogP2.26
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.29
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole?
The IUPAC name of 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole (CID 90250381) is 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole.
What is the SMILES notation for 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole?
The canonical SMILES for 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole is C=C/C=C\C1CN=CN1CC(C)C=C.
What is the InChIKey of 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole?
The InChIKey is XSHYGUYOMXPBKS-SREVYHEPSA-N. The full InChI is InChI=1S/C12H18N2/c1-4-6-7-12-8-13-10-14(12)9-11(3)5-2/h4-7,10-12H,1-2,8-9H2,3H3/b7-6-.
What are the key properties of 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole?
5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole has a molecular weight of 190.29 g/mol, XLogP of 2.26, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1Z)-buta-1,3-dienyl]-1-(2-methylbut-3-enyl)-4,5-dihydroimidazole is sourced from PubChem (CID 90250381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).