3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

C19H17N3O2 — CID 15288908

IUPAC3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18-17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)22(18)12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)
InChIKeyDVJYKUQIFGIROQ-UHFFFAOYSA-N
MW319.36 g/mol
LogP2.83
Rot. Bonds4

About 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 15288908) has the molecular formula C19H17N3O2 and a molecular weight of 319.36 g/mol. Its IUPAC name is 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID15288908
Molecular FormulaC19H17N3O2
Molecular Weight319.36 g/mol
Exact Mass319.13
IUPAC Name3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1
InChIInChI=1S/C19H17N3O2/c23-18-17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)22(18)12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24)
InChIKeyDVJYKUQIFGIROQ-UHFFFAOYSA-N
XLogP2.83
TPSA65.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (CID 15288908) is 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1Cc1ccccc1.
What is the InChIKey of 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is DVJYKUQIFGIROQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O2/c23-18-17(10-14-11-20-16-9-5-4-8-15(14)16)21-19(24)22(18)12-13-6-2-1-3-7-13/h1-9,11,17,20H,10,12H2,(H,21,24).
What are the key properties of 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 319.36 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 15288908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).