3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione

C17H17N3O3 — CID 9107549

IUPAC3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1-c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-11-8-14(12(2)20(11)13-6-4-3-5-7-13)15(21)10-19-16(22)9-18-17(19)23/h3-8H,9-10H2,1-2H3,(H,18,23)
InChIKeyBGGWOLQEBXIYGN-UHFFFAOYSA-N
MW311.34 g/mol
LogP1.83
Rot. Bonds4

About 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione

3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 9107549) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID9107549
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione
SMILESCc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1-c1ccccc1
InChIInChI=1S/C17H17N3O3/c1-11-8-14(12(2)20(11)13-6-4-3-5-7-13)15(21)10-19-16(22)9-18-17(19)23/h3-8H,9-10H2,1-2H3,(H,18,23)
InChIKeyBGGWOLQEBXIYGN-UHFFFAOYSA-N
XLogP1.83
TPSA71.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione (CID 9107549) is 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is Cc1cc(C(=O)CN2C(=O)CNC2=O)c(C)n1-c1ccccc1.
What is the InChIKey of 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
The InChIKey is BGGWOLQEBXIYGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-11-8-14(12(2)20(11)13-6-4-3-5-7-13)15(21)10-19-16(22)9-18-17(19)23/h3-8H,9-10H2,1-2H3,(H,18,23).
What are the key properties of 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione?
3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 311.34 g/mol, XLogP of 1.83, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,5-dimethyl-1-phenylpyrrol-3-yl)-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 9107549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).