(5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one

C20H32N2O3 — CID 57463046

IUPAC(5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
SMILESCC(C)OCCN1C(=O)[C@H]([C@H](O)CCc2ccccc2)NC1C(C)C
InChIInChI=1S/C20H32N2O3/c1-14(2)19-21-18(20(24)22(19)12-13-25-15(3)4)17(23)11-10-16-8-6-5-7-9-16/h5-9,14-15,17-19,21,23H,10-13H2,1-4H3/t17-,18+,19?/m1/s1
InChIKeyARAMQMPDNQVMNJ-YTYFACEESA-N
MW348.49 g/mol
LogP2.19
Rot. Bonds9

About (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one

(5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one (PubChem CID 57463046) has the molecular formula C20H32N2O3 and a molecular weight of 348.49 g/mol. Its IUPAC name is (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
PubChem CID57463046
Molecular FormulaC20H32N2O3
Molecular Weight348.49 g/mol
Exact Mass348.24
IUPAC Name(5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one
SMILESCC(C)OCCN1C(=O)[C@H]([C@H](O)CCc2ccccc2)NC1C(C)C
InChIInChI=1S/C20H32N2O3/c1-14(2)19-21-18(20(24)22(19)12-13-25-15(3)4)17(23)11-10-16-8-6-5-7-9-16/h5-9,14-15,17-19,21,23H,10-13H2,1-4H3/t17-,18+,19?/m1/s1
InChIKeyARAMQMPDNQVMNJ-YTYFACEESA-N
XLogP2.19
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.49
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The IUPAC name of (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one (CID 57463046) is (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one.
What is the SMILES notation for (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The canonical SMILES for (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one is CC(C)OCCN1C(=O)[C@H]([C@H](O)CCc2ccccc2)NC1C(C)C.
What is the InChIKey of (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
The InChIKey is ARAMQMPDNQVMNJ-YTYFACEESA-N. The full InChI is InChI=1S/C20H32N2O3/c1-14(2)19-21-18(20(24)22(19)12-13-25-15(3)4)17(23)11-10-16-8-6-5-7-9-16/h5-9,14-15,17-19,21,23H,10-13H2,1-4H3/t17-,18+,19?/m1/s1.
What are the key properties of (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one?
(5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one has a molecular weight of 348.49 g/mol, XLogP of 2.19, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(1R)-1-hydroxy-3-phenylpropyl]-2-propan-2-yl-3-(2-propan-2-yloxyethyl)imidazolidin-4-one is sourced from PubChem (CID 57463046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).