(4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

C18H23N3O3 — CID 95223585

IUPAC(4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCOc1ccccc1-c1nccn1[C@H]1CC(=O)N(CCOC)C1
InChIInChI=1S/C18H23N3O3/c1-3-24-16-7-5-4-6-15(16)18-19-8-9-21(18)14-12-17(22)20(13-14)10-11-23-2/h4-9,14H,3,10-13H2,1-2H3/t14-/m0/s1
InChIKeyFKXUYEFZJLIJFZ-AWEZNQCLSA-N
MW329.40 g/mol
LogP2.37
Rot. Bonds7

About (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one

(4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (PubChem CID 95223585) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.

Molecular Properties

Compound Name(4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
PubChem CID95223585
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name(4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one
SMILESCCOc1ccccc1-c1nccn1[C@H]1CC(=O)N(CCOC)C1
InChIInChI=1S/C18H23N3O3/c1-3-24-16-7-5-4-6-15(16)18-19-8-9-21(18)14-12-17(22)20(13-14)10-11-23-2/h4-9,14H,3,10-13H2,1-2H3/t14-/m0/s1
InChIKeyFKXUYEFZJLIJFZ-AWEZNQCLSA-N
XLogP2.37
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The IUPAC name of (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one (CID 95223585) is (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one.
What is the SMILES notation for (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The canonical SMILES for (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is CCOc1ccccc1-c1nccn1[C@H]1CC(=O)N(CCOC)C1.
What is the InChIKey of (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
The InChIKey is FKXUYEFZJLIJFZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-3-24-16-7-5-4-6-15(16)18-19-8-9-21(18)14-12-17(22)20(13-14)10-11-23-2/h4-9,14H,3,10-13H2,1-2H3/t14-/m0/s1.
What are the key properties of (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one?
(4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one has a molecular weight of 329.40 g/mol, XLogP of 2.37, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[2-(2-ethoxyphenyl)imidazol-1-yl]-1-(2-methoxyethyl)pyrrolidin-2-one is sourced from PubChem (CID 95223585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).