5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione

C17H18N4O2 — CID 71914522

IUPAC5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
SMILESCn1cc(C2(C)NC(=O)N(CC=Cc3ccccc3)C2=O)cn1
InChIInChI=1S/C17H18N4O2/c1-17(14-11-18-20(2)12-14)15(22)21(16(23)19-17)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H,19,23)
InChIKeyNHFFBJUTJSJEII-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.90
Rot. Bonds4

About 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione

5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione (PubChem CID 71914522) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
PubChem CID71914522
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione
SMILESCn1cc(C2(C)NC(=O)N(CC=Cc3ccccc3)C2=O)cn1
InChIInChI=1S/C17H18N4O2/c1-17(14-11-18-20(2)12-14)15(22)21(16(23)19-17)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H,19,23)
InChIKeyNHFFBJUTJSJEII-UHFFFAOYSA-N
XLogP1.90
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione?
The IUPAC name of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione (CID 71914522) is 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione is Cn1cc(C2(C)NC(=O)N(CC=Cc3ccccc3)C2=O)cn1.
What is the InChIKey of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione?
The InChIKey is NHFFBJUTJSJEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c1-17(14-11-18-20(2)12-14)15(22)21(16(23)19-17)10-6-9-13-7-4-3-5-8-13/h3-9,11-12H,10H2,1-2H3,(H,19,23).
What are the key properties of 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione?
5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione has a molecular weight of 310.36 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-5-(1-methylpyrazol-4-yl)-3-(3-phenylprop-2-enyl)imidazolidine-2,4-dione is sourced from PubChem (CID 71914522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).