1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one

C21H27N3O3 — CID 7189333

IUPAC1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN(C[C@@H](O)c1ccccc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H27N3O3/c25-19(17-7-3-1-4-8-17)15-23(13-14-24-12-11-22-21(24)27)16-20(26)18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,22,27)/t19-,20+
InChIKeyPMAXVTXGRFLVMC-BGYRXZFFSA-N
MW369.47 g/mol
LogP1.78
Rot. Bonds9

About 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one

1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one (PubChem CID 7189333) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one
PubChem CID7189333
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one
SMILESO=C1NCCN1CCN(C[C@@H](O)c1ccccc1)C[C@H](O)c1ccccc1
InChIInChI=1S/C21H27N3O3/c25-19(17-7-3-1-4-8-17)15-23(13-14-24-12-11-22-21(24)27)16-20(26)18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,22,27)/t19-,20+
InChIKeyPMAXVTXGRFLVMC-BGYRXZFFSA-N
XLogP1.78
TPSA76.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one?
The IUPAC name of 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one (CID 7189333) is 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one is O=C1NCCN1CCN(C[C@@H](O)c1ccccc1)C[C@H](O)c1ccccc1.
What is the InChIKey of 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one?
The InChIKey is PMAXVTXGRFLVMC-BGYRXZFFSA-N. The full InChI is InChI=1S/C21H27N3O3/c25-19(17-7-3-1-4-8-17)15-23(13-14-24-12-11-22-21(24)27)16-20(26)18-9-5-2-6-10-18/h1-10,19-20,25-26H,11-16H2,(H,22,27)/t19-,20+.
What are the key properties of 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one?
1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one has a molecular weight of 369.47 g/mol, XLogP of 1.78, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-2-hydroxy-2-phenylethyl]-[(2S)-2-hydroxy-2-phenylethyl]amino]ethyl]imidazolidin-2-one is sourced from PubChem (CID 7189333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).