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

C16H20N2 — CID 118029493

IUPAC4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole
SMILESC=CC(=C)C1N=C(/C(C=C)=C/C)N=C1/C(C)=C/C
InChIInChI=1S/C16H20N2/c1-7-11(5)14-15(12(6)8-2)18-16(17-14)13(9-3)10-4/h7-10,14H,1,3,5H2,2,4,6H3/b12-8+,13-10+
InChIKeyBHIXDLRYMACSTA-SDCOAONHSA-N
MW240.35 g/mol
LogP4.05
Rot. Bonds5

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

4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole (PubChem CID 118029493) has the molecular formula C16H20N2 and a molecular weight of 240.35 g/mol. Its IUPAC name is 4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole.

Molecular Properties

Compound Name4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole
PubChem CID118029493
Molecular FormulaC16H20N2
Molecular Weight240.35 g/mol
Exact Mass240.16
IUPAC Name4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole
SMILESC=CC(=C)C1N=C(/C(C=C)=C/C)N=C1/C(C)=C/C
InChIInChI=1S/C16H20N2/c1-7-11(5)14-15(12(6)8-2)18-16(17-14)13(9-3)10-4/h7-10,14H,1,3,5H2,2,4,6H3/b12-8+,13-10+
InChIKeyBHIXDLRYMACSTA-SDCOAONHSA-N
XLogP4.05
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Launch Full Analysis

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-2-[(3E)-penta-1,3-dien-3-yl]-5-[(E)-pent-2-en-2-yl]-4H-imidazole
CID 118029501
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-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole?
The IUPAC name of 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) is 4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole.
What is the SMILES notation for 4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole?
The canonical SMILES for 4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole is C=CC(=C)C1N=C(/C(C=C)=C/C)N=C1/C(C)=C/C.
What is the InChIKey of 4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole?
The InChIKey is BHIXDLRYMACSTA-SDCOAONHSA-N. The full InChI is InChI=1S/C16H20N2/c1-7-11(5)14-15(12(6)8-2)18-16(17-14)13(9-3)10-4/h7-10,14H,1,3,5H2,2,4,6H3/b12-8+,13-10+.
What are the key properties of 4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole?
4-buta-1,3-dien-2-yl-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole has a molecular weight of 240.35 g/mol, XLogP of 4.05, 5 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-5-[(E)-but-2-en-2-yl]-2-[(3E)-penta-1,3-dien-3-yl]-4H-imidazole is sourced from PubChem (CID 118029493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).