(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione

C24H27N3O2 — CID 95229978

IUPAC(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2)(C2CCNCC2)C(=O)N1C1Cc2ccccc2C1
InChIInChI=1S/C24H27N3O2/c28-22-24(20-10-12-25-13-11-20,16-17-6-2-1-3-7-17)26-23(29)27(22)21-14-18-8-4-5-9-19(18)15-21/h1-9,20-21,25H,10-16H2,(H,26,29)/t24-/m1/s1
InChIKeyORGKEMRVBRQWFR-XMMPIXPASA-N
MW389.50 g/mol
LogP2.69
Rot. Bonds4

About (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione

(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione (PubChem CID 95229978) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
PubChem CID95229978
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione
SMILESO=C1N[C@](Cc2ccccc2)(C2CCNCC2)C(=O)N1C1Cc2ccccc2C1
InChIInChI=1S/C24H27N3O2/c28-22-24(20-10-12-25-13-11-20,16-17-6-2-1-3-7-17)26-23(29)27(22)21-14-18-8-4-5-9-19(18)15-21/h1-9,20-21,25H,10-16H2,(H,26,29)/t24-/m1/s1
InChIKeyORGKEMRVBRQWFR-XMMPIXPASA-N
XLogP2.69
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione (CID 95229978) is (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione is O=C1N[C@](Cc2ccccc2)(C2CCNCC2)C(=O)N1C1Cc2ccccc2C1.
What is the InChIKey of (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
The InChIKey is ORGKEMRVBRQWFR-XMMPIXPASA-N. The full InChI is InChI=1S/C24H27N3O2/c28-22-24(20-10-12-25-13-11-20,16-17-6-2-1-3-7-17)26-23(29)27(22)21-14-18-8-4-5-9-19(18)15-21/h1-9,20-21,25H,10-16H2,(H,26,29)/t24-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione?
(5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione has a molecular weight of 389.50 g/mol, XLogP of 2.69, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-(2,3-dihydro-1H-inden-2-yl)-5-piperidin-4-ylimidazolidine-2,4-dione is sourced from PubChem (CID 95229978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).