1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione

C26H20N2O4 — CID 55546620

IUPAC1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
SMILESCC(c1ccccc1)N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O
InChIInChI=1S/C26H20N2O4/c1-16(17-7-3-2-4-8-17)28-25(31)24(30)27(26(28)32)15-23(29)20-12-11-19-13-18-9-5-6-10-21(18)22(19)14-20/h2-12,14,16H,13,15H2,1H3
InChIKeyNLOKTGWAFYGMQJ-UHFFFAOYSA-N
MW424.46 g/mol
LogP3.99
Rot. Bonds5

About 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione

1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione (PubChem CID 55546620) has the molecular formula C26H20N2O4 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
PubChem CID55546620
Molecular FormulaC26H20N2O4
Molecular Weight424.46 g/mol
Exact Mass424.14
IUPAC Name1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione
SMILESCC(c1ccccc1)N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O
InChIInChI=1S/C26H20N2O4/c1-16(17-7-3-2-4-8-17)28-25(31)24(30)27(26(28)32)15-23(29)20-12-11-19-13-18-9-5-6-10-21(18)22(19)14-20/h2-12,14,16H,13,15H2,1H3
InChIKeyNLOKTGWAFYGMQJ-UHFFFAOYSA-N
XLogP3.99
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
The IUPAC name of 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione (CID 55546620) is 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
The canonical SMILES for 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione is CC(c1ccccc1)N1C(=O)C(=O)N(CC(=O)c2ccc3c(c2)-c2ccccc2C3)C1=O.
What is the InChIKey of 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
The InChIKey is NLOKTGWAFYGMQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20N2O4/c1-16(17-7-3-2-4-8-17)28-25(31)24(30)27(26(28)32)15-23(29)20-12-11-19-13-18-9-5-6-10-21(18)22(19)14-20/h2-12,14,16H,13,15H2,1H3.
What are the key properties of 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione?
1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione has a molecular weight of 424.46 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(9H-fluoren-3-yl)-2-oxoethyl]-3-(1-phenylethyl)imidazolidine-2,4,5-trione is sourced from PubChem (CID 55546620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).