1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

C24H23N3O4 — CID 38866732

IUPAC1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H23N3O4/c28-21(15-25-22(29)23(30)26(24(25)31)18-9-3-4-10-18)27-19-11-5-1-7-16(19)13-14-17-8-2-6-12-20(17)27/h1-2,5-8,11-12,18H,3-4,9-10,13-15H2
InChIKeyVIXIHIPJMAHBGP-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.18
Rot. Bonds3

About 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione

1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (PubChem CID 38866732) has the molecular formula C24H23N3O4 and a molecular weight of 417.47 g/mol. Its IUPAC name is 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
PubChem CID38866732
Molecular FormulaC24H23N3O4
Molecular Weight417.47 g/mol
Exact Mass417.17
IUPAC Name1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione
SMILESO=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2CCc2ccccc21
InChIInChI=1S/C24H23N3O4/c28-21(15-25-22(29)23(30)26(24(25)31)18-9-3-4-10-18)27-19-11-5-1-7-16(19)13-14-17-8-2-6-12-20(17)27/h1-2,5-8,11-12,18H,3-4,9-10,13-15H2
InChIKeyVIXIHIPJMAHBGP-UHFFFAOYSA-N
XLogP3.18
TPSA78.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.18
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-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione (CID 38866732) is 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is O=C1C(=O)N(C2CCCC2)C(=O)N1CC(=O)N1c2ccccc2CCc2ccccc21.
What is the InChIKey of 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
The InChIKey is VIXIHIPJMAHBGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N3O4/c28-21(15-25-22(29)23(30)26(24(25)31)18-9-3-4-10-18)27-19-11-5-1-7-16(19)13-14-17-8-2-6-12-20(17)27/h1-2,5-8,11-12,18H,3-4,9-10,13-15H2.
What are the key properties of 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione?
1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione has a molecular weight of 417.47 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[2-(5,6-dihydrobenzo[b][1]benzazepin-11-yl)-2-oxoethyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 38866732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).