2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole

C10H16N2 — CID 123197467

IUPAC2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole
SMILESC=CCC=CC1(C)N=CCN1C
InChIInChI=1S/C10H16N2/c1-4-5-6-7-10(2)11-8-9-12(10)3/h4,6-8H,1,5,9H2,2-3H3
InChIKeyUWJXKIGPLRFLPJ-UHFFFAOYSA-N
MW164.25 g/mol
LogP1.85
Rot. Bonds3

About 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole

2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole (PubChem CID 123197467) has the molecular formula C10H16N2 and a molecular weight of 164.25 g/mol. Its IUPAC name is 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole.

Molecular Properties

Compound Name2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole
PubChem CID123197467
Molecular FormulaC10H16N2
Molecular Weight164.25 g/mol
Exact Mass164.13
IUPAC Name2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole
SMILESC=CCC=CC1(C)N=CCN1C
InChIInChI=1S/C10H16N2/c1-4-5-6-7-10(2)11-8-9-12(10)3/h4,6-8H,1,5,9H2,2-3H3
InChIKeyUWJXKIGPLRFLPJ-UHFFFAOYSA-N
XLogP1.85
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500164.25
LogP ≤ 51.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole?
The IUPAC name of 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole (CID 123197467) is 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole.
What is the SMILES notation for 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole?
The canonical SMILES for 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole is C=CCC=CC1(C)N=CCN1C.
What is the InChIKey of 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole?
The InChIKey is UWJXKIGPLRFLPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2/c1-4-5-6-7-10(2)11-8-9-12(10)3/h4,6-8H,1,5,9H2,2-3H3.
What are the key properties of 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole?
2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole has a molecular weight of 164.25 g/mol, XLogP of 1.85, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-penta-1,4-dienyl-4H-imidazole is sourced from PubChem (CID 123197467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).