(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione

C30H34N4O2 — CID 51684122

IUPAC(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(CN2CCCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-24-13-15-26(16-14-24)22-32-17-8-18-33(20-19-32)23-34-28(35)30(31-29(34)36,27-11-6-3-7-12-27)21-25-9-4-2-5-10-25/h2-7,9-16H,8,17-23H2,1H3,(H,31,36)/t30-/m1/s1
InChIKeyIPHGGSLTPAMHEA-SSEXGKCCSA-N
MW482.63 g/mol
LogP4.15
Rot. Bonds7

About (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione

(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 51684122) has the molecular formula C30H34N4O2 and a molecular weight of 482.63 g/mol. Its IUPAC name is (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
PubChem CID51684122
Molecular FormulaC30H34N4O2
Molecular Weight482.63 g/mol
Exact Mass482.27
IUPAC Name(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc(CN2CCCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1
InChIInChI=1S/C30H34N4O2/c1-24-13-15-26(16-14-24)22-32-17-8-18-33(20-19-32)23-34-28(35)30(31-29(34)36,27-11-6-3-7-12-27)21-25-9-4-2-5-10-25/h2-7,9-16H,8,17-23H2,1H3,(H,31,36)/t30-/m1/s1
InChIKeyIPHGGSLTPAMHEA-SSEXGKCCSA-N
XLogP4.15
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287
3-[[4-[(4-chlorophenyl)methyl]piperazin-1-yl]methyl]-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 42911323
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 16545157
4-[(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzonitrile
CID 3936185
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
3-[[3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 17481393
(5S)-3-[[(3S)-3-(1,3-benzothiazol-2-yl)piperidin-1-yl]methyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 51887059
(5S)-5-benzyl-3-[(2,3,4,5,6-pentafluorophenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 41305462
3-[(4-methylphenyl)methyl]-5,5-diphenylimidazolidine-2,4-dione
CID 4810451
3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 9172288
3-[[4-[(4-propan-2-ylphenyl)methyl]piperazin-1-yl]methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 9172286
1-[(4-benzylpiperazin-1-yl)methyl]-3-methyl-3-phenylpyrrolidine-2,5-dione;hydrochloride
CID 70675866

Frequently Asked Questions

What is the IUPAC name of (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione (CID 51684122) is (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione is Cc1ccc(CN2CCCN(CN3C(=O)N[C@](Cc4ccccc4)(c4ccccc4)C3=O)CC2)cc1.
What is the InChIKey of (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is IPHGGSLTPAMHEA-SSEXGKCCSA-N. The full InChI is InChI=1S/C30H34N4O2/c1-24-13-15-26(16-14-24)22-32-17-8-18-33(20-19-32)23-34-28(35)30(31-29(34)36,27-11-6-3-7-12-27)21-25-9-4-2-5-10-25/h2-7,9-16H,8,17-23H2,1H3,(H,31,36)/t30-/m1/s1.
What are the key properties of (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 482.63 g/mol, XLogP of 4.15, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-benzyl-3-[[4-[(4-methylphenyl)methyl]-1,4-diazepan-1-yl]methyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 51684122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).