1-penta-1,3-dien-3-yl-4,5-dihydroimidazole

C8H12N2 — CID 150233910

IUPAC1-penta-1,3-dien-3-yl-4,5-dihydroimidazole
SMILESC=CC(=CC)N1C=NCC1
InChIInChI=1S/C8H12N2/c1-3-8(4-2)10-6-5-9-7-10/h3-4,7H,1,5-6H2,2H3
InChIKeyFWBUXEWHLSMVTE-UHFFFAOYSA-N
MW136.20 g/mol
LogP1.42
Rot. Bonds2

About 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole

1-penta-1,3-dien-3-yl-4,5-dihydroimidazole (PubChem CID 150233910) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-penta-1,3-dien-3-yl-4,5-dihydroimidazole
PubChem CID150233910
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name1-penta-1,3-dien-3-yl-4,5-dihydroimidazole
SMILESC=CC(=CC)N1C=NCC1
InChIInChI=1S/C8H12N2/c1-3-8(4-2)10-6-5-9-7-10/h3-4,7H,1,5-6H2,2H3
InChIKeyFWBUXEWHLSMVTE-UHFFFAOYSA-N
XLogP1.42
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 51.42
H-Bond Donors ≤ 50
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 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole?
The IUPAC name of 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole (CID 150233910) is 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole.
What is the SMILES notation for 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole?
The canonical SMILES for 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole is C=CC(=CC)N1C=NCC1.
What is the InChIKey of 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole?
The InChIKey is FWBUXEWHLSMVTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-3-8(4-2)10-6-5-9-7-10/h3-4,7H,1,5-6H2,2H3.
What are the key properties of 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole?
1-penta-1,3-dien-3-yl-4,5-dihydroimidazole has a molecular weight of 136.20 g/mol, XLogP of 1.42, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-penta-1,3-dien-3-yl-4,5-dihydroimidazole is sourced from PubChem (CID 150233910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).