(5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione

C23H24N4O5 — CID 40843224

About (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 40843224) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
• PubChem CID: 40843224
• Molecular Formula: C23H24N4O5
• Molecular Weight: 436.47 g/mol
• Exact Mass: 436.17
• IUPAC Name: (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
• SMILES: COc1cccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)c1
• InChI: InChI=1S/C23H24N4O5/c1-14-11-19(28)24-17-9-4-5-10-18(17)27(14)20(29)13-26-21(30)23(2,25-22(26)31)15-7-6-8-16(12-15)32-3/h4-10,12,14H,11,13H2,1-3H3,(H,24,28)(H,25,31)/t14-,23+/m0/s1
• InChIKey: IRQHJRJDENRENW-LFVRLGFBSA-N
• XLogP: 2.23
• TPSA: 108.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	436.47
LogP ≤ 5	2.23
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 40843224) is (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione is COc1cccc([C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@@H]3C)C2=O)c1.

What is the InChIKey of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione?

The InChIKey is IRQHJRJDENRENW-LFVRLGFBSA-N. The full InChI is InChI=1S/C23H24N4O5/c1-14-11-19(28)24-17-9-4-5-10-18(17)27(14)20(29)13-26-21(30)23(2,25-22(26)31)15-7-6-8-16(12-15)32-3/h4-10,12,14H,11,13H2,1-3H3,(H,24,28)(H,25,31)/t14-,23+/m0/s1.

What are the key properties of (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione?

(5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione has a molecular weight of 436.47 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4S)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40843224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).