(5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione

C30H23N3O2 — CID 126244564

About (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione

(5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione (PubChem CID 126244564) has the molecular formula C30H23N3O2 and a molecular weight of 457.53 g/mol. Its IUPAC name is (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
• PubChem CID: 126244564
• Molecular Formula: C30H23N3O2
• Molecular Weight: 457.53 g/mol
• Exact Mass: 457.18
• IUPAC Name: (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione
• SMILES: O=C1N/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1Cc1ccccc1
• InChI: InChI=1S/C30H23N3O2/c34-29-27(31-30(35)33(29)18-21-9-2-1-3-10-21)17-24-20-32(28-16-7-6-15-26(24)28)19-23-13-8-12-22-11-4-5-14-25(22)23/h1-17,20H,18-19H2,(H,31,35)/b27-17+
• InChIKey: NIYKKBSDOSVMOO-WPWMEQJKSA-N
• XLogP: 5.94
• TPSA: 54.34 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	457.53
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione?

The IUPAC name of (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione (CID 126244564) is (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione.

What is the SMILES notation for (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione?

The canonical SMILES for (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione is O=C1N/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1Cc1ccccc1.

What is the InChIKey of (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione?

The InChIKey is NIYKKBSDOSVMOO-WPWMEQJKSA-N. The full InChI is InChI=1S/C30H23N3O2/c34-29-27(31-30(35)33(29)18-21-9-2-1-3-10-21)17-24-20-32(28-16-7-6-15-26(24)28)19-23-13-8-12-22-11-4-5-14-25(22)23/h1-17,20H,18-19H2,(H,31,35)/b27-17+.

What are the key properties of (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione?

(5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione has a molecular weight of 457.53 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for (5E)-3-benzyl-5-[[1-(naphthalen-1-ylmethyl)indol-3-yl]methylidene]imidazolidine-2,4-dione is sourced from PubChem (CID 126244564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).