2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide

C27H26N4O3 — CID 1274878

IUPAC2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide
SMILESCCOc1ccc(C(C)(C)C(=O)NN2C(=O)C(=Cc3ccccn3)N=C2c2ccccc2)cc1
InChIInChI=1S/C27H26N4O3/c1-4-34-22-15-13-20(14-16-22)27(2,3)26(33)30-31-24(19-10-6-5-7-11-19)29-23(25(31)32)18-21-12-8-9-17-28-21/h5-18H,4H2,1-3H3,(H,30,33)
InChIKeySTYGZCJRDKRLIZ-UHFFFAOYSA-N
MW454.53 g/mol
LogP4.12
Rot. Bonds7

About 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide

2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide (PubChem CID 1274878) has the molecular formula C27H26N4O3 and a molecular weight of 454.53 g/mol. Its IUPAC name is 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide
PubChem CID1274878
Molecular FormulaC27H26N4O3
Molecular Weight454.53 g/mol
Exact Mass454.20
IUPAC Name2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide
SMILESCCOc1ccc(C(C)(C)C(=O)NN2C(=O)C(=Cc3ccccn3)N=C2c2ccccc2)cc1
InChIInChI=1S/C27H26N4O3/c1-4-34-22-15-13-20(14-16-22)27(2,3)26(33)30-31-24(19-10-6-5-7-11-19)29-23(25(31)32)18-21-12-8-9-17-28-21/h5-18H,4H2,1-3H3,(H,30,33)
InChIKeySTYGZCJRDKRLIZ-UHFFFAOYSA-N
XLogP4.12
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.53
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide?
The IUPAC name of 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide (CID 1274878) is 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide.
What is the SMILES notation for 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide?
The canonical SMILES for 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide is CCOc1ccc(C(C)(C)C(=O)NN2C(=O)C(=Cc3ccccn3)N=C2c2ccccc2)cc1.
What is the InChIKey of 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide?
The InChIKey is STYGZCJRDKRLIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O3/c1-4-34-22-15-13-20(14-16-22)27(2,3)26(33)30-31-24(19-10-6-5-7-11-19)29-23(25(31)32)18-21-12-8-9-17-28-21/h5-18H,4H2,1-3H3,(H,30,33).
What are the key properties of 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide?
2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide has a molecular weight of 454.53 g/mol, XLogP of 4.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-ethoxyphenyl)-2-methyl-N-[5-oxo-2-phenyl-4-(pyridin-2-ylmethylidene)imidazol-1-yl]propanamide is sourced from PubChem (CID 1274878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).