4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole

C17H22N2 — CID 118029501

IUPAC4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole
SMILESC=CC(=C)C1N=C(/C(C=C)=C/C)N=C1/C(C)=C/CC
InChIInChI=1S/C17H22N2/c1-7-11-13(6)16-15(12(5)8-2)18-17(19-16)14(9-3)10-4/h8-11,15H,2-3,5,7H2,1,4,6H3/b13-11+,14-10+
InChIKeyFRDLWOAGOVQPAQ-CKNIOMRDSA-N
MW254.38 g/mol
LogP4.44
Rot. Bonds6

About 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole

4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole (PubChem CID 118029501) has the molecular formula C17H22N2 and a molecular weight of 254.38 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole.

Molecular Properties

Compound Name4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole
PubChem CID118029501
Molecular FormulaC17H22N2
Molecular Weight254.38 g/mol
Exact Mass254.18
IUPAC Name4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole
SMILESC=CC(=C)C1N=C(/C(C=C)=C/C)N=C1/C(C)=C/CC
InChIInChI=1S/C17H22N2/c1-7-11-13(6)16-15(12(5)8-2)18-17(19-16)14(9-3)10-4/h8-11,15H,2-3,5,7H2,1,4,6H3/b13-11+,14-10+
InChIKeyFRDLWOAGOVQPAQ-CKNIOMRDSA-N
XLogP4.44
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.38
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-(1-fluoroethyl)-2-(4-propylcyclohepta-1,3,6-trien-1-yl)-4H-imidazole
CID 156543755
(7Z,8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine
CID 57669251
2-tert-butyl-7-methyl-3aH-benzimidazole
CID 58082047
10-methyl-7,11a-dihydro-4aH-indolo[3,2-b]quinoxaline
CID 69958336
(7Z)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine
CID 71021950
2,5-dimethyl-3aH-benzimidazole
CID 90463802
6-Methyl-5-methylidene-2,3-dihydropyrrolo[2,3-b]pyridine
CID 90820746
(8S)-3-ethyl-7-ethylidene-2,8-dimethyl-8H-pyrido[2,3-b][1,8]naphthyridine
CID 91423855
4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole
CID 118029493
4-buta-1,3-dien-2-yl-2-[(1E,4Z)-6-[4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-4H-imidazol-2-yl]-1-(1-cyclopropylideneethyl)-2,5,7-trimethylocta-1,4,6-trienyl]-5-[(E)-but-2-en-2-yl]-4H-imidazole
CID 118029508
4,7-dimethyl-7aH-cyclopenta[d]pyrimidine
CID 118446160
4,7-dimethyl-7aH-cyclopenta[d]pyrimidin-2-amine
CID 118446161

Frequently Asked Questions

What is the IUPAC name of 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole?
The IUPAC name of 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole (CID 118029501) is 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole.
What is the SMILES notation for 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole?
The canonical SMILES for 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole is C=CC(=C)C1N=C(/C(C=C)=C/C)N=C1/C(C)=C/CC.
What is the InChIKey of 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole?
The InChIKey is FRDLWOAGOVQPAQ-CKNIOMRDSA-N. The full InChI is InChI=1S/C17H22N2/c1-7-11-13(6)16-15(12(5)8-2)18-17(19-16)14(9-3)10-4/h8-11,15H,2-3,5,7H2,1,4,6H3/b13-11+,14-10+.
What are the key properties of 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole?
4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole has a molecular weight of 254.38 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-buta-1,3-dien-2-yl-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole is sourced from PubChem (CID 118029501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).