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

C25H28N4O5 — CID 41169017

IUPAC(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)C2=O)cc1
InChIInChI=1S/C25H28N4O5/c1-16-14-21(30)26-19-6-4-5-7-20(19)29(16)22(31)15-28-23(32)25(2,27-24(28)33)13-12-17-8-10-18(34-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,26,30)(H,27,33)/t16-,25-/m1/s1
InChIKeyBWLWOFXSOWJTKH-PUAOIOHZSA-N
MW464.52 g/mol
LogP2.70
Rot. Bonds6

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

(5R)-5-[2-(4-methoxyphenyl)ethyl]-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 41169017) has the molecular formula C25H28N4O5 and a molecular weight of 464.52 g/mol. Its IUPAC name is (5R)-5-[2-(4-methoxyphenyl)ethyl]-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(5R)-5-[2-(4-methoxyphenyl)ethyl]-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 CID41169017
Molecular FormulaC25H28N4O5
Molecular Weight464.52 g/mol
Exact Mass464.21
IUPAC Name(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione
SMILESCOc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)C2=O)cc1
InChIInChI=1S/C25H28N4O5/c1-16-14-21(30)26-19-6-4-5-7-20(19)29(16)22(31)15-28-23(32)25(2,27-24(28)33)13-12-17-8-10-18(34-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,26,30)(H,27,33)/t16-,25-/m1/s1
InChIKeyBWLWOFXSOWJTKH-PUAOIOHZSA-N
XLogP2.70
TPSA108.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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

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Launch Full Analysis

Related Compounds

(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
(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
1-(4-methoxyphenyl)-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4,5-trione
CID 25470659
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 8507246
N-[(4-methoxyphenyl)methyl]-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 2482252
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 8507184
N-cyclopropyl-2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507132
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507059
(5S)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 8507058
N-cyclopropyl-2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 8507131
2-[(4R)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 8506922
2-[(4S)-4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-propylacetamide
CID 8506914

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[2-(4-methoxyphenyl)ethyl]-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 (5R)-5-[2-(4-methoxyphenyl)ethyl]-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 41169017) is (5R)-5-[2-(4-methoxyphenyl)ethyl]-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 (5R)-5-[2-(4-methoxyphenyl)ethyl]-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 (5R)-5-[2-(4-methoxyphenyl)ethyl]-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 COc1ccc(CC[C@@]2(C)NC(=O)N(CC(=O)N3c4ccccc4NC(=O)C[C@H]3C)C2=O)cc1.
What is the InChIKey of (5R)-5-[2-(4-methoxyphenyl)ethyl]-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 BWLWOFXSOWJTKH-PUAOIOHZSA-N. The full InChI is InChI=1S/C25H28N4O5/c1-16-14-21(30)26-19-6-4-5-7-20(19)29(16)22(31)15-28-23(32)25(2,27-24(28)33)13-12-17-8-10-18(34-3)11-9-17/h4-11,16H,12-15H2,1-3H3,(H,26,30)(H,27,33)/t16-,25-/m1/s1.
What are the key properties of (5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[2-[(4R)-4-methyl-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]-2-oxoethyl]imidazolidine-2,4-dione?
(5R)-5-[2-(4-methoxyphenyl)ethyl]-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 464.52 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[2-(4-methoxyphenyl)ethyl]-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 41169017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).