(5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C22H16Cl2N2O3S — CID 40844525

IUPAC(5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C22H16Cl2N2O3S/c23-18-11-16(19(24)30-18)17(27)13-26-20(28)22(25-21(26)29,15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,25,29)/t22-/m0/s1
InChIKeySIKJLPRAIMKFEZ-QFIPXVFZSA-N
MW459.35 g/mol
LogP4.93
Rot. Bonds6

About (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

(5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 40844525) has the molecular formula C22H16Cl2N2O3S and a molecular weight of 459.35 g/mol. Its IUPAC name is (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID40844525
Molecular FormulaC22H16Cl2N2O3S
Molecular Weight459.35 g/mol
Exact Mass458.03
IUPAC Name(5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESO=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1cc(Cl)sc1Cl
InChIInChI=1S/C22H16Cl2N2O3S/c23-18-11-16(19(24)30-18)17(27)13-26-20(28)22(25-21(26)29,15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,25,29)/t22-/m0/s1
InChIKeySIKJLPRAIMKFEZ-QFIPXVFZSA-N
XLogP4.93
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.35
LogP ≤ 54.93
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

(5S)-5-benzyl-3-phenacyl-5-phenylimidazolidine-2,4-dione
CID 7300137
(5S)-5-benzyl-3-[2-(5-fluoro-2-methoxyphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 41097205
(5R)-5-benzyl-3-[2-(4-ethylphenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7637584
(5S)-3-[2-(azepan-1-yl)-2-oxoethyl]-5-benzyl-5-phenylimidazolidine-2,4-dione
CID 2705375
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 2667132
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(methylcarbamoyl)acetamide
CID 2705361
(5R)-5-benzyl-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2099184
2-[(4S)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-methylphenyl)acetamide
CID 7637654
(5R)-5-benzyl-3-[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 7240320
2-(4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl)-N-(4-methylphenyl)acetamide
CID 16545157
2-[(4R)-4-benzyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2-fluorophenyl)acetamide
CID 7637677
(5S)-5-benzyl-3-[(4-methylphenyl)methyl]-5-phenylimidazolidine-2,4-dione
CID 7240287

Frequently Asked Questions

What is the IUPAC name of (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 40844525) is (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is O=C(CN1C(=O)N[C@@](Cc2ccccc2)(c2ccccc2)C1=O)c1cc(Cl)sc1Cl.
What is the InChIKey of (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is SIKJLPRAIMKFEZ-QFIPXVFZSA-N. The full InChI is InChI=1S/C22H16Cl2N2O3S/c23-18-11-16(19(24)30-18)17(27)13-26-20(28)22(25-21(26)29,15-9-5-2-6-10-15)12-14-7-3-1-4-8-14/h1-11H,12-13H2,(H,25,29)/t22-/m0/s1.
What are the key properties of (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
(5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 459.35 g/mol, XLogP of 4.93, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-benzyl-3-[2-(2,5-dichlorothiophen-3-yl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 40844525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).