1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one

C22H26N4O2 — CID 122680976

About 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one

1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one (PubChem CID 122680976) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one.

Molecular Properties

• Compound Name: 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one
• PubChem CID: 122680976
• Molecular Formula: C22H26N4O2
• Molecular Weight: 378.48 g/mol
• Exact Mass: 378.21
• IUPAC Name: 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one
• SMILES: [H]/N=C/C(=C\N)c1ccc(N2CCN(CC(C)c3ccccc3)C2=O)cc1OC
• InChI: InChI=1S/C22H26N4O2/c1-16(17-6-4-3-5-7-17)15-25-10-11-26(22(25)27)19-8-9-20(18(13-23)14-24)21(12-19)28-2/h3-9,12-14,16,23H,10-11,15,24H2,1-2H3/b18-14+,23-13+
• InChIKey: AWAKOWPYCKIELK-JYNNYDOQSA-N
• XLogP: 3.69
• TPSA: 82.65 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	378.48
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one?

The IUPAC name of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one (CID 122680976) is 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one.

What is the SMILES notation for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one?

The canonical SMILES for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one is [H]/N=C/C(=C\N)c1ccc(N2CCN(CC(C)c3ccccc3)C2=O)cc1OC.

What is the InChIKey of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one?

The InChIKey is AWAKOWPYCKIELK-JYNNYDOQSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-16(17-6-4-3-5-7-17)15-25-10-11-26(22(25)27)19-8-9-20(18(13-23)14-24)21(12-19)28-2/h3-9,12-14,16,23H,10-11,15,24H2,1-2H3/b18-14+,23-13+.

What are the key properties of 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one?

1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one has a molecular weight of 378.48 g/mol, XLogP of 3.69, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[4-[(Z)-1-amino-3-iminoprop-1-en-2-yl]-3-methoxyphenyl]-3-(2-phenylpropyl)imidazolidin-2-one is sourced from PubChem (CID 122680976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).