5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione

C12H11N3O2 — CID 139630245

IUPAC5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione
SMILESCc1c(C2NC(=O)NC2=O)[nH]c2ccccc12
InChIInChI=1S/C12H11N3O2/c1-6-7-4-2-3-5-8(7)13-9(6)10-11(16)15-12(17)14-10/h2-5,10,13H,1H3,(H2,14,15,16,17)
InChIKeyZQYKFWFCTMOOBP-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.36
Rot. Bonds1

About 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione

5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione (PubChem CID 139630245) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione
PubChem CID139630245
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione
SMILESCc1c(C2NC(=O)NC2=O)[nH]c2ccccc12
InChIInChI=1S/C12H11N3O2/c1-6-7-4-2-3-5-8(7)13-9(6)10-11(16)15-12(17)14-10/h2-5,10,13H,1H3,(H2,14,15,16,17)
InChIKeyZQYKFWFCTMOOBP-UHFFFAOYSA-N
XLogP1.36
TPSA73.99 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione?
The IUPAC name of 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione (CID 139630245) is 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione?
The canonical SMILES for 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione is Cc1c(C2NC(=O)NC2=O)[nH]c2ccccc12.
What is the InChIKey of 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione?
The InChIKey is ZQYKFWFCTMOOBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-6-7-4-2-3-5-8(7)13-9(6)10-11(16)15-12(17)14-10/h2-5,10,13H,1H3,(H2,14,15,16,17).
What are the key properties of 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione?
5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione has a molecular weight of 229.24 g/mol, XLogP of 1.36, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methyl-1H-indol-2-yl)imidazolidine-2,4-dione is sourced from PubChem (CID 139630245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).