5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione

C29H30N4O4 — CID 3043736

IUPAC5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H30N4O4/c34-27-29(24-10-5-2-6-11-24,25-12-14-26(15-13-25)33(36)37)30-28(35)32(27)19-7-18-31-20-16-23(17-21-31)22-8-3-1-4-9-22/h1-6,8-15,23H,7,16-21H2,(H,30,35)
InChIKeyBIWZAOFMWOJBKN-UHFFFAOYSA-N
MW498.58 g/mol
LogP4.66
Rot. Bonds8

About 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione

5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione (PubChem CID 3043736) has the molecular formula C29H30N4O4 and a molecular weight of 498.58 g/mol. Its IUPAC name is 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
PubChem CID3043736
Molecular FormulaC29H30N4O4
Molecular Weight498.58 g/mol
Exact Mass498.23
IUPAC Name5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione
SMILESO=C1NC(c2ccccc2)(c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1
InChIInChI=1S/C29H30N4O4/c34-27-29(24-10-5-2-6-11-24,25-12-14-26(15-13-25)33(36)37)30-28(35)32(27)19-7-18-31-20-16-23(17-21-31)22-8-3-1-4-9-22/h1-6,8-15,23H,7,16-21H2,(H,30,35)
InChIKeyBIWZAOFMWOJBKN-UHFFFAOYSA-N
XLogP4.66
TPSA95.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500498.58
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-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

2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(4-phenyl-1-piperidinyl)propyl)-
CID 3043720
Ro 28-2653
CID 9832179
3-(2-Dimethylamino-ethyl)-5-methyl-5-(4-nitro-phenyl)-imidazolidine-2,4-dione
CID 3095535
N-(4-Nitrobenzyl)spiperone
CID 15121338
3-[(4-Nitrophenyl)methyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 2622540
2-(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-nitrophenyl)acetamide
CID 5134575
rac-5-Cyclopropyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 46191862
rac-5-Methyl-5-phenyl-3-[3-(4-phenylpiperazin-1-yl)propyl]-imidazolidine-2,4-dione
CID 46193600
3-Methyl-5,5-diphenyl-1-[5-(4-phenylpiperazin-1-yl)pentyl]imidazolidine-2,4-dione;hydrochloride
CID 90654832
8-Phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 122181340
6-Phenyl-3-[4-(4-phenylpiperazin-1-yl)butyl]-1,3-diazaspiro[4.5]decane-2,4-dione
CID 122181344
3-[(3-Nitrophenyl)methyl]-1,3-diazaspiro[4.6]undecane-2,4-dione
CID 2710891

Frequently Asked Questions

What is the IUPAC name of 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The IUPAC name of 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione (CID 3043736) is 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione is O=C1NC(c2ccccc2)(c2ccc([N+](=O)[O-])cc2)C(=O)N1CCCN1CCC(c2ccccc2)CC1.
What is the InChIKey of 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
The InChIKey is BIWZAOFMWOJBKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N4O4/c34-27-29(24-10-5-2-6-11-24,25-12-14-26(15-13-25)33(36)37)30-28(35)32(27)19-7-18-31-20-16-23(17-21-31)22-8-3-1-4-9-22/h1-6,8-15,23H,7,16-21H2,(H,30,35).
What are the key properties of 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione?
5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione has a molecular weight of 498.58 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-nitrophenyl)-5-phenyl-3-[3-(4-phenylpiperidin-1-yl)propyl]imidazolidine-2,4-dione is sourced from PubChem (CID 3043736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).