1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one

C19H18ClN3O — CID 19837250

IUPAC1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(C/C=C/C=C/c2ccccc2Cl)CCN1c1ccncc1
InChIInChI=1S/C19H18ClN3O/c20-18-8-4-3-7-16(18)6-2-1-5-13-22-14-15-23(19(22)24)17-9-11-21-12-10-17/h1-12H,13-15H2/b5-1+,6-2+
InChIKeyHYXWJYZSGRVHMR-IJIVKGSJSA-N
MW339.83 g/mol
LogP4.25
Rot. Bonds5

About 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one

1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one (PubChem CID 19837250) has the molecular formula C19H18ClN3O and a molecular weight of 339.83 g/mol. Its IUPAC name is 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one
PubChem CID19837250
Molecular FormulaC19H18ClN3O
Molecular Weight339.83 g/mol
Exact Mass339.11
IUPAC Name1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one
SMILESO=C1N(C/C=C/C=C/c2ccccc2Cl)CCN1c1ccncc1
InChIInChI=1S/C19H18ClN3O/c20-18-8-4-3-7-16(18)6-2-1-5-13-22-14-15-23(19(22)24)17-9-11-21-12-10-17/h1-12H,13-15H2/b5-1+,6-2+
InChIKeyHYXWJYZSGRVHMR-IJIVKGSJSA-N
XLogP4.25
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.83
LogP ≤ 54.25
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-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one?
The IUPAC name of 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one (CID 19837250) is 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one.
What is the SMILES notation for 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one?
The canonical SMILES for 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one is O=C1N(C/C=C/C=C/c2ccccc2Cl)CCN1c1ccncc1.
What is the InChIKey of 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one?
The InChIKey is HYXWJYZSGRVHMR-IJIVKGSJSA-N. The full InChI is InChI=1S/C19H18ClN3O/c20-18-8-4-3-7-16(18)6-2-1-5-13-22-14-15-23(19(22)24)17-9-11-21-12-10-17/h1-12H,13-15H2/b5-1+,6-2+.
What are the key properties of 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one?
1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one has a molecular weight of 339.83 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2E,4E)-5-(2-chlorophenyl)penta-2,4-dienyl]-3-pyridin-4-ylimidazolidin-2-one is sourced from PubChem (CID 19837250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).