(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione

C22H25ClN2O3 — CID 7242931

IUPAC(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C22H25ClN2O3/c1-21(16-4-2-3-5-17(16)23)19(27)25(20(28)24-21)12-18(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,13-15H,6-12H2,1H3,(H,24,28)/t13?,14?,15?,21-,22?/m0/s1
InChIKeyGPEHFLHJDHAXJP-KPCCXISESA-N
MW400.91 g/mol
LogP3.89
Rot. Bonds4

About (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione

(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione (PubChem CID 7242931) has the molecular formula C22H25ClN2O3 and a molecular weight of 400.91 g/mol. Its IUPAC name is (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
PubChem CID7242931
Molecular FormulaC22H25ClN2O3
Molecular Weight400.91 g/mol
Exact Mass400.16
IUPAC Name(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione
SMILESC[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O
InChIInChI=1S/C22H25ClN2O3/c1-21(16-4-2-3-5-17(16)23)19(27)25(20(28)24-21)12-18(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,13-15H,6-12H2,1H3,(H,24,28)/t13?,14?,15?,21-,22?/m0/s1
InChIKeyGPEHFLHJDHAXJP-KPCCXISESA-N
XLogP3.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.91
LogP ≤ 53.89
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

(5S)-5-(2-chlorophenyl)-5-methyl-3-(2-oxo-2-piperidin-1-ylethyl)imidazolidine-2,4-dione
CID 2702291
(5R)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-methylphenyl)imidazolidine-2,4-dione
CID 7242527
3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 55304336
2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N,N-dicyclohexylacetamide
CID 26918173
2-[(4R)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-cyclopentylacetamide
CID 2711182
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-methyl-5-(4-nitrophenyl)imidazolidine-2,4-dione
CID 7180129
(5R)-5-(2-chlorophenyl)-5-methyl-3-(2-morpholin-4-yl-2-oxoethyl)imidazolidine-2,4-dione
CID 2702196
(5R)-5-(2-chlorophenyl)-3-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]-5-methylimidazolidine-2,4-dione
CID 2083343
2-[4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(cyclohexylcarbamoyl)acetamide
CID 4813035
N-benzyl-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702240
N-[(4-chlorophenyl)methyl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2583083
N-[(2S)-butan-2-yl]-2-[(4S)-4-(2-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 2702159

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The IUPAC name of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione (CID 7242931) is (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione is C[C@@]1(c2ccccc2Cl)NC(=O)N(CC(=O)C23CC4CC(CC(C4)C2)C3)C1=O.
What is the InChIKey of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
The InChIKey is GPEHFLHJDHAXJP-KPCCXISESA-N. The full InChI is InChI=1S/C22H25ClN2O3/c1-21(16-4-2-3-5-17(16)23)19(27)25(20(28)24-21)12-18(26)22-9-13-6-14(10-22)8-15(7-13)11-22/h2-5,13-15H,6-12H2,1H3,(H,24,28)/t13?,14?,15?,21-,22?/m0/s1.
What are the key properties of (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione?
(5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione has a molecular weight of 400.91 g/mol, XLogP of 3.89, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-[2-(1-adamantyl)-2-oxoethyl]-5-(2-chlorophenyl)-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 7242931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).