(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine

C22H20FN3 — CID 135448190

IUPAC(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
SMILESFc1cccc(C/N=C2\N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H20FN3/c23-19-13-7-8-16(14-19)15-24-22-25-20(17-9-3-1-4-10-17)21(26-22)18-11-5-2-6-12-18/h1-14,20-21H,15H2,(H2,24,25,26)/t20-,21+
InChIKeyIIZMNLPJUHGQIJ-OYRHEFFESA-N
MW345.42 g/mol
LogP4.36
Rot. Bonds4

About (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine

(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine (PubChem CID 135448190) has the molecular formula C22H20FN3 and a molecular weight of 345.42 g/mol. Its IUPAC name is (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine.

Molecular Properties

Compound Name(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
PubChem CID135448190
Molecular FormulaC22H20FN3
Molecular Weight345.42 g/mol
Exact Mass345.16
IUPAC Name(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine
SMILESFc1cccc(C/N=C2\N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1
InChIInChI=1S/C22H20FN3/c23-19-13-7-8-16(14-19)15-24-22-25-20(17-9-3-1-4-10-17)21(26-22)18-11-5-2-6-12-18/h1-14,20-21H,15H2,(H2,24,25,26)/t20-,21+
InChIKeyIIZMNLPJUHGQIJ-OYRHEFFESA-N
XLogP4.36
TPSA36.42 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.42
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
The IUPAC name of (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine (CID 135448190) is (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine.
What is the SMILES notation for (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
The canonical SMILES for (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine is Fc1cccc(C/N=C2\N[C@H](c3ccccc3)[C@H](c3ccccc3)N2)c1.
What is the InChIKey of (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
The InChIKey is IIZMNLPJUHGQIJ-OYRHEFFESA-N. The full InChI is InChI=1S/C22H20FN3/c23-19-13-7-8-16(14-19)15-24-22-25-20(17-9-3-1-4-10-17)21(26-22)18-11-5-2-6-12-18/h1-14,20-21H,15H2,(H2,24,25,26)/t20-,21+.
What are the key properties of (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine?
(4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine has a molecular weight of 345.42 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-N-[(3-fluorophenyl)methyl]-4,5-diphenylimidazolidin-2-imine is sourced from PubChem (CID 135448190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).