2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole

C10H14N2 — CID 142044127

IUPAC2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole
SMILESC=C/C=C\C=C(/C)C1=NCCN1
InChIInChI=1S/C10H14N2/c1-3-4-5-6-9(2)10-11-7-8-12-10/h3-6H,1,7-8H2,2H3,(H,11,12)/b5-4-,9-6+
InChIKeyZSBSBLKCIGZHNO-KMOPYBJPSA-N
MW162.24 g/mol
LogP1.68
Rot. Bonds3

About 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole

2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole (PubChem CID 142044127) has the molecular formula C10H14N2 and a molecular weight of 162.24 g/mol. Its IUPAC name is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole
PubChem CID142044127
Molecular FormulaC10H14N2
Molecular Weight162.24 g/mol
Exact Mass162.12
IUPAC Name2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole
SMILESC=C/C=C\C=C(/C)C1=NCCN1
InChIInChI=1S/C10H14N2/c1-3-4-5-6-9(2)10-11-7-8-12-10/h3-6H,1,7-8H2,2H3,(H,11,12)/b5-4-,9-6+
InChIKeyZSBSBLKCIGZHNO-KMOPYBJPSA-N
XLogP1.68
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500162.24
LogP ≤ 51.68
H-Bond Donors ≤ 51
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 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole (CID 142044127) is 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole is C=C/C=C\C=C(/C)C1=NCCN1.
What is the InChIKey of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole?
The InChIKey is ZSBSBLKCIGZHNO-KMOPYBJPSA-N. The full InChI is InChI=1S/C10H14N2/c1-3-4-5-6-9(2)10-11-7-8-12-10/h3-6H,1,7-8H2,2H3,(H,11,12)/b5-4-,9-6+.
What are the key properties of 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole?
2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole has a molecular weight of 162.24 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4Z)-hepta-2,4,6-trien-2-yl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 142044127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).