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

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

(5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione (PubChem CID 40843226) has the molecular formula C23H24N4O5 and a molecular weight of 436.47 g/mol. Its IUPAC name is (5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name	(5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
PubChem CID	40843226
Molecular Formula	C23H24N4O5
Molecular Weight	436.47 g/mol
Exact Mass	436.17
IUPAC Name	(5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-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+/m1/s1
InChIKey	IRQHJRJDENRENW-FATZIPQQSA-N
XLogP	2.23
TPSA	108.05 Å²
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'}

Related Compounds

Frequently Asked Questions

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

The IUPAC name of (5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione (CID 40843226) is (5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-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 (5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione?

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

The InChIKey is IRQHJRJDENRENW-FATZIPQQSA-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+/m1/s1.

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

(5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-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 (5S)-5-(3-methoxyphenyl)-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 40843226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).