2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one

C23H21N3O2 — CID 44530159

IUPAC2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C23H21N3O2/c24-22-25-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21(27)26(22)16-17-28-20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,24,25)
InChIKeySZWYHUAUEZNPQR-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.17
Rot. Bonds6

About 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one

2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one (PubChem CID 44530159) has the molecular formula C23H21N3O2 and a molecular weight of 371.44 g/mol. Its IUPAC name is 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one.

Molecular Properties

Compound Name2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one
PubChem CID44530159
Molecular FormulaC23H21N3O2
Molecular Weight371.44 g/mol
Exact Mass371.16
IUPAC Name2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one
SMILESNC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccccc1
InChIInChI=1S/C23H21N3O2/c24-22-25-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21(27)26(22)16-17-28-20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,24,25)
InChIKeySZWYHUAUEZNPQR-UHFFFAOYSA-N
XLogP3.17
TPSA67.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one?
The IUPAC name of 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one (CID 44530159) is 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one.
What is the SMILES notation for 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one?
The canonical SMILES for 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one is NC1=NC(c2ccccc2)(c2ccccc2)C(=O)N1CCOc1ccccc1.
What is the InChIKey of 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one?
The InChIKey is SZWYHUAUEZNPQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N3O2/c24-22-25-23(18-10-4-1-5-11-18,19-12-6-2-7-13-19)21(27)26(22)16-17-28-20-14-8-3-9-15-20/h1-15H,16-17H2,(H2,24,25).
What are the key properties of 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one?
2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one has a molecular weight of 371.44 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-(2-phenoxyethyl)-5,5-diphenylimidazol-4-one is sourced from PubChem (CID 44530159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).