2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole

C9H14N2 — CID 90077005

IUPAC2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
SMILESC=C(C=C(C)C)C1=NCCN1
InChIInChI=1S/C9H14N2/c1-7(2)6-8(3)9-10-4-5-11-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyMXTSGCANLVXJOZ-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.51
Rot. Bonds2

About 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole

2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole (PubChem CID 90077005) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
PubChem CID90077005
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole
SMILESC=C(C=C(C)C)C1=NCCN1
InChIInChI=1S/C9H14N2/c1-7(2)6-8(3)9-10-4-5-11-9/h6H,3-5H2,1-2H3,(H,10,11)
InChIKeyMXTSGCANLVXJOZ-UHFFFAOYSA-N
XLogP1.51
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole 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 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole (CID 90077005) is 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole is C=C(C=C(C)C)C1=NCCN1.
What is the InChIKey of 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole?
The InChIKey is MXTSGCANLVXJOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-7(2)6-8(3)9-10-4-5-11-9/h6H,3-5H2,1-2H3,(H,10,11).
What are the key properties of 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole?
2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methylpenta-1,3-dien-2-yl)-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 90077005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).