(5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione

C19H23N3O4 — CID 156823286

IUPAC(5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(O)c1ccc2c(c1)CN(C(=O)CC[C@@]1(C3CC3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H23N3O4/c1-11(23)12-2-3-13-9-22(10-14(13)8-12)16(24)6-7-19(15-4-5-15)17(25)20-18(26)21-19/h2-3,8,11,15,23H,4-7,9-10H2,1H3,(H2,20,21,25,26)/t11?,19-/m0/s1
InChIKeyJJOUPJGHBMJEOO-OWRIGNJKSA-N
MW357.41 g/mol
LogP1.35
Rot. Bonds5

About (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 156823286) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID156823286
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name(5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione
SMILESCC(O)c1ccc2c(c1)CN(C(=O)CC[C@@]1(C3CC3)NC(=O)NC1=O)C2
InChIInChI=1S/C19H23N3O4/c1-11(23)12-2-3-13-9-22(10-14(13)8-12)16(24)6-7-19(15-4-5-15)17(25)20-18(26)21-19/h2-3,8,11,15,23H,4-7,9-10H2,1H3,(H2,20,21,25,26)/t11?,19-/m0/s1
InChIKeyJJOUPJGHBMJEOO-OWRIGNJKSA-N
XLogP1.35
TPSA98.74 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione (CID 156823286) is (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is CC(O)c1ccc2c(c1)CN(C(=O)CC[C@@]1(C3CC3)NC(=O)NC1=O)C2.
What is the InChIKey of (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is JJOUPJGHBMJEOO-OWRIGNJKSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-11(23)12-2-3-13-9-22(10-14(13)8-12)16(24)6-7-19(15-4-5-15)17(25)20-18(26)21-19/h2-3,8,11,15,23H,4-7,9-10H2,1H3,(H2,20,21,25,26)/t11?,19-/m0/s1.
What are the key properties of (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 357.41 g/mol, XLogP of 1.35, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-cyclopropyl-5-[3-[5-(1-hydroxyethyl)-1,3-dihydroisoindol-2-yl]-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 156823286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).