3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione

C18H23N3O2 — CID 166835366

IUPAC3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)CN(Cc2[nH]c3ccccc3c2CC)C1=O
InChIInChI=1S/C18H23N3O2/c1-3-5-10-21-17(22)12-20(18(21)23)11-16-13(4-2)14-8-6-7-9-15(14)19-16/h6-9,19H,3-5,10-12H2,1-2H3
InChIKeyQMEOKYJQKZXBBY-UHFFFAOYSA-N
MW313.40 g/mol
LogP3.29
Rot. Bonds6

About 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione

3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione (PubChem CID 166835366) has the molecular formula C18H23N3O2 and a molecular weight of 313.40 g/mol. Its IUPAC name is 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione
PubChem CID166835366
Molecular FormulaC18H23N3O2
Molecular Weight313.40 g/mol
Exact Mass313.18
IUPAC Name3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione
SMILESCCCCN1C(=O)CN(Cc2[nH]c3ccccc3c2CC)C1=O
InChIInChI=1S/C18H23N3O2/c1-3-5-10-21-17(22)12-20(18(21)23)11-16-13(4-2)14-8-6-7-9-15(14)19-16/h6-9,19H,3-5,10-12H2,1-2H3
InChIKeyQMEOKYJQKZXBBY-UHFFFAOYSA-N
XLogP3.29
TPSA56.41 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.40
LogP ≤ 53.29
H-Bond Donors ≤ 51
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 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione?
The IUPAC name of 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione (CID 166835366) is 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione is CCCCN1C(=O)CN(Cc2[nH]c3ccccc3c2CC)C1=O.
What is the InChIKey of 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione?
The InChIKey is QMEOKYJQKZXBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O2/c1-3-5-10-21-17(22)12-20(18(21)23)11-16-13(4-2)14-8-6-7-9-15(14)19-16/h6-9,19H,3-5,10-12H2,1-2H3.
What are the key properties of 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione?
3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione has a molecular weight of 313.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-butyl-1-[(3-ethyl-1H-indol-2-yl)methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 166835366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).