1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole

C15H16N2 — CID 129306308

IUPAC1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole
SMILESC=C(/C=C/c1ccc(CC)cc1)n1ccnc1
InChIInChI=1S/C15H16N2/c1-3-14-6-8-15(9-7-14)5-4-13(2)17-11-10-16-12-17/h4-12H,2-3H2,1H3/b5-4+
InChIKeyDTVWQSFMHSOXJZ-SNAWJCMRSA-N
MW224.31 g/mol
LogP3.63
Rot. Bonds4

About 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole

1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole (PubChem CID 129306308) has the molecular formula C15H16N2 and a molecular weight of 224.31 g/mol. Its IUPAC name is 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole.

Molecular Properties

Compound Name1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole
PubChem CID129306308
Molecular FormulaC15H16N2
Molecular Weight224.31 g/mol
Exact Mass224.13
IUPAC Name1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole
SMILESC=C(/C=C/c1ccc(CC)cc1)n1ccnc1
InChIInChI=1S/C15H16N2/c1-3-14-6-8-15(9-7-14)5-4-13(2)17-11-10-16-12-17/h4-12H,2-3H2,1H3/b5-4+
InChIKeyDTVWQSFMHSOXJZ-SNAWJCMRSA-N
XLogP3.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.31
LogP ≤ 53.63
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-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole?
The IUPAC name of 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole (CID 129306308) is 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole.
What is the SMILES notation for 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole?
The canonical SMILES for 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole is C=C(/C=C/c1ccc(CC)cc1)n1ccnc1.
What is the InChIKey of 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole?
The InChIKey is DTVWQSFMHSOXJZ-SNAWJCMRSA-N. The full InChI is InChI=1S/C15H16N2/c1-3-14-6-8-15(9-7-14)5-4-13(2)17-11-10-16-12-17/h4-12H,2-3H2,1H3/b5-4+.
What are the key properties of 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole?
1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole has a molecular weight of 224.31 g/mol, XLogP of 3.63, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3E)-4-(4-ethylphenyl)buta-1,3-dien-2-yl]imidazole is sourced from PubChem (CID 129306308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).