4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole

C9H14N2 — CID 90243951

IUPAC4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole
SMILESC/C=C\C=C/C1NC=C(C)N1
InChIInChI=1S/C9H14N2/c1-3-4-5-6-9-10-7-8(2)11-9/h3-7,9-11H,1-2H3/b4-3-,6-5-
InChIKeyYWQPMNBGTDYQHA-OUPQRBNQSA-N
MW150.22 g/mol
LogP1.50
Rot. Bonds2

About 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole

4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole (PubChem CID 90243951) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole.

Molecular Properties

Compound Name4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole
PubChem CID90243951
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole
SMILESC/C=C\C=C/C1NC=C(C)N1
InChIInChI=1S/C9H14N2/c1-3-4-5-6-9-10-7-8(2)11-9/h3-7,9-11H,1-2H3/b4-3-,6-5-
InChIKeyYWQPMNBGTDYQHA-OUPQRBNQSA-N
XLogP1.50
TPSA24.06 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole?
The IUPAC name of 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole (CID 90243951) is 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole.
What is the SMILES notation for 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole?
The canonical SMILES for 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole is C/C=C\C=C/C1NC=C(C)N1.
What is the InChIKey of 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole?
The InChIKey is YWQPMNBGTDYQHA-OUPQRBNQSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-4-5-6-9-10-7-8(2)11-9/h3-7,9-11H,1-2H3/b4-3-,6-5-.
What are the key properties of 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole?
4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole has a molecular weight of 150.22 g/mol, XLogP of 1.50, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[(1Z,3Z)-penta-1,3-dienyl]-2,3-dihydro-1H-imidazole is sourced from PubChem (CID 90243951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).