1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile

C30H30N4O2 — CID 10299367

IUPAC1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C30H30N4O2/c31-23-29(24-11-4-1-5-12-24)17-21-33(22-18-29)19-10-20-34-27(35)30(32-28(34)36,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16H,10,17-22H2,(H,32,36)
InChIKeyCASGLPHEHPUYMV-UHFFFAOYSA-N
MW478.60 g/mol
LogP4.43
Rot. Bonds7

About 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile

1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile (PubChem CID 10299367) has the molecular formula C30H30N4O2 and a molecular weight of 478.60 g/mol. Its IUPAC name is 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
PubChem CID10299367
Molecular FormulaC30H30N4O2
Molecular Weight478.60 g/mol
Exact Mass478.24
IUPAC Name1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile
SMILESN#CC1(c2ccccc2)CCN(CCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1
InChIInChI=1S/C30H30N4O2/c31-23-29(24-11-4-1-5-12-24)17-21-33(22-18-29)19-10-20-34-27(35)30(32-28(34)36,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16H,10,17-22H2,(H,32,36)
InChIKeyCASGLPHEHPUYMV-UHFFFAOYSA-N
XLogP4.43
TPSA76.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.60
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-Dioxo-4,4-diphenylimidazolidin-1-yl)acetamide
CID 2107999
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(1-piperidinyl)propyl)-
CID 3041343
2,4-Imidazolidinedione, 5,5-diphenyl-3-(3-(4-phenyl-1-piperidinyl)propyl)-
CID 3043720
(5S)-3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 40633600
3-Methyl-5,5-diphenylimidazolidine-2,4-dione
CID 77899
3-Hexyl-5,5-diphenylimidazolidine-2,4-dione
CID 24860362
3-Benzyl-5-ethyl-5-phenylimidazolidine-2,4-dione
CID 4804492
5,5-Diphenyl-3-[5-(4-phenylpiperidin-1-yl)pentyl]imidazolidine-2,4-dione
CID 44386517
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-[2-(4-fluorophenyl)ethyl]acetamide
CID 2087814
2-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)-N-methylacetamide
CID 2091432
2-(4-Methyl-2,5-dioxo-4-phenylimidazolidin-1-YL)acetonitrile
CID 16196747
1,5,5-tribenzyl-2,4,6(1H,3H,5H)-pyrimidinetrione
CID 268733

Frequently Asked Questions

What is the IUPAC name of 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
The IUPAC name of 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile (CID 10299367) is 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile.
What is the SMILES notation for 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
The canonical SMILES for 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile is N#CC1(c2ccccc2)CCN(CCCN2C(=O)NC(c3ccccc3)(c3ccccc3)C2=O)CC1.
What is the InChIKey of 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
The InChIKey is CASGLPHEHPUYMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H30N4O2/c31-23-29(24-11-4-1-5-12-24)17-21-33(22-18-29)19-10-20-34-27(35)30(32-28(34)36,25-13-6-2-7-14-25)26-15-8-3-9-16-26/h1-9,11-16H,10,17-22H2,(H,32,36).
What are the key properties of 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile?
1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile has a molecular weight of 478.60 g/mol, XLogP of 4.43, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(2,5-dioxo-4,4-diphenylimidazolidin-1-yl)propyl]-4-phenylpiperidine-4-carbonitrile is sourced from PubChem (CID 10299367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).