(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione

C23H27N3O2 — CID 9184161

IUPAC(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCCCC3)C2=O)cc1C
InChIInChI=1S/C23H27N3O2/c1-17-11-12-20(15-18(17)2)23(19-9-5-3-6-10-19)21(27)26(22(28)24-23)16-25-13-7-4-8-14-25/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,24,28)/t23-/m0/s1
InChIKeyHWFDVHUSQNXXJM-QHCPKHFHSA-N
MW377.49 g/mol
LogP3.54
Rot. Bonds4

About (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione

(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione (PubChem CID 9184161) has the molecular formula C23H27N3O2 and a molecular weight of 377.49 g/mol. Its IUPAC name is (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
PubChem CID9184161
Molecular FormulaC23H27N3O2
Molecular Weight377.49 g/mol
Exact Mass377.21
IUPAC Name(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
SMILESCc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCCCC3)C2=O)cc1C
InChIInChI=1S/C23H27N3O2/c1-17-11-12-20(15-18(17)2)23(19-9-5-3-6-10-19)21(27)26(22(28)24-23)16-25-13-7-4-8-14-25/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,24,28)/t23-/m0/s1
InChIKeyHWFDVHUSQNXXJM-QHCPKHFHSA-N
XLogP3.54
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-5-(3,4-dimethylphenyl)-3-(morpholin-4-ylmethyl)-5-phenylimidazolidine-2,4-dione
CID 9193313
(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31444010
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
CID 30628981
3-(azepan-1-ylmethyl)-5,5-bis(4-methoxyphenyl)imidazolidine-2,4-dione
CID 9403675
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673055
(5S)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673056
(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9193036
4-[[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzonitrile
CID 8672971
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9291310
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
(5S)-5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 51565929

Frequently Asked Questions

What is the IUPAC name of (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione (CID 9184161) is (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione is Cc1ccc([C@]2(c3ccccc3)NC(=O)N(CN3CCCCC3)C2=O)cc1C.
What is the InChIKey of (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is HWFDVHUSQNXXJM-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H27N3O2/c1-17-11-12-20(15-18(17)2)23(19-9-5-3-6-10-19)21(27)26(22(28)24-23)16-25-13-7-4-8-14-25/h3,5-6,9-12,15H,4,7-8,13-14,16H2,1-2H3,(H,24,28)/t23-/m0/s1.
What are the key properties of (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione?
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 377.49 g/mol, XLogP of 3.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 9184161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).