(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C25H29N3O3 — CID 8673055

IUPAC(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1C
InChIInChI=1S/C25H29N3O3/c1-17-12-13-21(15-18(17)2)25(20-10-5-4-6-11-20)23(30)28(24(31)26-25)16-22(29)27-14-8-7-9-19(27)3/h4-6,10-13,15,19H,7-9,14,16H2,1-3H3,(H,26,31)/t19-,25-/m1/s1
InChIKeyBLHQYYVANFXZGQ-KBMIEXCESA-N
MW419.53 g/mol
LogP3.50
Rot. Bonds4

About (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 8673055) has the molecular formula C25H29N3O3 and a molecular weight of 419.53 g/mol. Its IUPAC name is (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
PubChem CID8673055
Molecular FormulaC25H29N3O3
Molecular Weight419.53 g/mol
Exact Mass419.22
IUPAC Name(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
SMILESCc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1C
InChIInChI=1S/C25H29N3O3/c1-17-12-13-21(15-18(17)2)25(20-10-5-4-6-11-20)23(30)28(24(31)26-25)16-22(29)27-14-8-7-9-19(27)3/h4-6,10-13,15,19H,7-9,14,16H2,1-3H3,(H,26,31)/t19-,25-/m1/s1
InChIKeyBLHQYYVANFXZGQ-KBMIEXCESA-N
XLogP3.50
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.50
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-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8673056
(5R)-5-(3,4-dimethylphenyl)-3-(2-oxo-2-piperidin-1-ylethyl)-5-phenylimidazolidine-2,4-dione
CID 8673010
(5R)-5-methyl-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 2453229
(5S)-5-(3,4-dimethylphenyl)-5-phenyl-3-(piperidin-1-ylmethyl)imidazolidine-2,4-dione
CID 9184161
5-methyl-3-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]-5-naphthalen-2-ylimidazolidine-2,4-dione
CID 42898015
(5R)-5-(3-bromophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2701973
(5S)-5-(3,4-dimethylphenyl)-3-[2-oxo-2-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-5-phenylimidazolidine-2,4-dione
CID 51565929
2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]-N-(2,2,2-trifluoroethyl)acetamide
CID 8673076
(5S)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41012964
(5R)-5-(3,4-dimethylphenyl)-3-[2-(3-fluorophenyl)-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
CID 8677282
(5R)-5-(4-chlorophenyl)-5-methyl-3-[2-[(2S)-2-methylpiperidin-1-yl]-2-oxoethyl]imidazolidine-2,4-dione
CID 2577171
butyl 2-[(4S)-4-(3,4-dimethylphenyl)-2,5-dioxo-4-phenylimidazolidin-1-yl]acetate
CID 8673066

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The IUPAC name of (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 8673055) is (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.
What is the SMILES notation for (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The canonical SMILES for (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is Cc1ccc([C@@]2(c3ccccc3)NC(=O)N(CC(=O)N3CCCC[C@H]3C)C2=O)cc1C.
What is the InChIKey of (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
The InChIKey is BLHQYYVANFXZGQ-KBMIEXCESA-N. The full InChI is InChI=1S/C25H29N3O3/c1-17-12-13-21(15-18(17)2)25(20-10-5-4-6-11-20)23(30)28(24(31)26-25)16-22(29)27-14-8-7-9-19(27)3/h4-6,10-13,15,19H,7-9,14,16H2,1-3H3,(H,26,31)/t19-,25-/m1/s1.
What are the key properties of (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?
(5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 419.53 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(3,4-dimethylphenyl)-3-[2-[(2R)-2-methylpiperidin-1-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 8673055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).