5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione

C20H16N4O4 — CID 75080808

IUPAC5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione
SMILESCC1(C=C2NC(=O)N(c3ccccc3)C2=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H16N4O4/c1-20(17(26)24(19(28)22-20)14-10-6-3-7-11-14)12-15-16(25)23(18(27)21-15)13-8-4-2-5-9-13/h2-12H,1H3,(H,21,27)(H,22,28)
InChIKeyRGOABDVPYSFSDI-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.14
Rot. Bonds3

About 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione

5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione (PubChem CID 75080808) has the molecular formula C20H16N4O4 and a molecular weight of 376.37 g/mol. Its IUPAC name is 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione
PubChem CID75080808
Molecular FormulaC20H16N4O4
Molecular Weight376.37 g/mol
Exact Mass376.12
IUPAC Name5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione
SMILESCC1(C=C2NC(=O)N(c3ccccc3)C2=O)NC(=O)N(c2ccccc2)C1=O
InChIInChI=1S/C20H16N4O4/c1-20(17(26)24(19(28)22-20)14-10-6-3-7-11-14)12-15-16(25)23(18(27)21-15)13-8-4-2-5-9-13/h2-12H,1H3,(H,21,27)(H,22,28)
InChIKeyRGOABDVPYSFSDI-UHFFFAOYSA-N
XLogP2.14
TPSA98.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione?
The IUPAC name of 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione (CID 75080808) is 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione?
The canonical SMILES for 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione is CC1(C=C2NC(=O)N(c3ccccc3)C2=O)NC(=O)N(c2ccccc2)C1=O.
What is the InChIKey of 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione?
The InChIKey is RGOABDVPYSFSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N4O4/c1-20(17(26)24(19(28)22-20)14-10-6-3-7-11-14)12-15-16(25)23(18(27)21-15)13-8-4-2-5-9-13/h2-12H,1H3,(H,21,27)(H,22,28).
What are the key properties of 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione?
5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione has a molecular weight of 376.37 g/mol, XLogP of 2.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,5-dioxo-1-phenylimidazolidin-4-ylidene)methyl]-5-methyl-3-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 75080808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).