(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

C27H30N4O2S — CID 30628981

IUPAC(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(Cc4cccs4)CC3)C2=O)cc1C
InChIInChI=1S/C27H30N4O2S/c1-20-10-11-23(17-21(20)2)27(22-7-4-3-5-8-22)25(32)31(26(33)28-27)19-30-14-12-29(13-15-30)18-24-9-6-16-34-24/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,28,33)/t27-/m1/s1
InChIKeyCHHPESZNEZLRLX-HHHXNRCGSA-N
MW474.63 g/mol
LogP3.94
Rot. Bonds6

About (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione

(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 30628981) has the molecular formula C27H30N4O2S and a molecular weight of 474.63 g/mol. Its IUPAC name is (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
PubChem CID30628981
Molecular FormulaC27H30N4O2S
Molecular Weight474.63 g/mol
Exact Mass474.21
IUPAC Name(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(Cc4cccs4)CC3)C2=O)cc1C
InChIInChI=1S/C27H30N4O2S/c1-20-10-11-23(17-21(20)2)27(22-7-4-3-5-8-22)25(32)31(26(33)28-27)19-30-14-12-29(13-15-30)18-24-9-6-16-34-24/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,28,33)/t27-/m1/s1
InChIKeyCHHPESZNEZLRLX-HHHXNRCGSA-N
XLogP3.94
TPSA55.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.63
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161
(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
5,5-diphenyl-3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]imidazolidine-2,4-dione
CID 31384492
(5S)-3-(1,3-benzodioxol-5-ylmethyl)-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9291310
4-[[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzonitrile
CID 8672971
(5S)-3-[[benzyl(methyl)amino]methyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 9193036
2-[[2-[4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 42921307
(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
(5R)-3-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]-5-(3,4-dimethylphenyl)-5-phenylimidazolidine-2,4-dione
CID 41251117

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 30628981) is (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CN3CCN(Cc4cccs4)CC3)C2=O)cc1C.
What is the InChIKey of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
The InChIKey is CHHPESZNEZLRLX-HHHXNRCGSA-N. The full InChI is InChI=1S/C27H30N4O2S/c1-20-10-11-23(17-21(20)2)27(22-7-4-3-5-8-22)25(32)31(26(33)28-27)19-30-14-12-29(13-15-30)18-24-9-6-16-34-24/h3-11,16-17H,12-15,18-19H2,1-2H3,(H,28,33)/t27-/m1/s1.
What are the key properties of (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione?
(5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 474.63 g/mol, XLogP of 3.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dimethylphenyl)-5-phenyl-3-[[4-(thiophen-2-ylmethyl)piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 30628981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).