(5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione

C23H28N4O2 — CID 95218964

IUPAC(5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
SMILESCc1ccccc1C[C@@]1(C2CCNCC2)NC(=O)N(CCc2ccncc2)C1=O
InChIInChI=1S/C23H28N4O2/c1-17-4-2-3-5-19(17)16-23(20-8-13-25-14-9-20)21(28)27(22(29)26-23)15-10-18-6-11-24-12-7-18/h2-7,11-12,20,25H,8-10,13-16H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyCRAYHEONKIFUEY-QHCPKHFHSA-N
MW392.50 g/mol
LogP2.47
Rot. Bonds6

About (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione

(5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione (PubChem CID 95218964) has the molecular formula C23H28N4O2 and a molecular weight of 392.50 g/mol. Its IUPAC name is (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
PubChem CID95218964
Molecular FormulaC23H28N4O2
Molecular Weight392.50 g/mol
Exact Mass392.22
IUPAC Name(5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione
SMILESCc1ccccc1C[C@@]1(C2CCNCC2)NC(=O)N(CCc2ccncc2)C1=O
InChIInChI=1S/C23H28N4O2/c1-17-4-2-3-5-19(17)16-23(20-8-13-25-14-9-20)21(28)27(22(29)26-23)15-10-18-6-11-24-12-7-18/h2-7,11-12,20,25H,8-10,13-16H2,1H3,(H,26,29)/t23-/m0/s1
InChIKeyCRAYHEONKIFUEY-QHCPKHFHSA-N
XLogP2.47
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.50
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione (CID 95218964) is (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione is Cc1ccccc1C[C@@]1(C2CCNCC2)NC(=O)N(CCc2ccncc2)C1=O.
What is the InChIKey of (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
The InChIKey is CRAYHEONKIFUEY-QHCPKHFHSA-N. The full InChI is InChI=1S/C23H28N4O2/c1-17-4-2-3-5-19(17)16-23(20-8-13-25-14-9-20)21(28)27(22(29)26-23)15-10-18-6-11-24-12-7-18/h2-7,11-12,20,25H,8-10,13-16H2,1H3,(H,26,29)/t23-/m0/s1.
What are the key properties of (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione?
(5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione has a molecular weight of 392.50 g/mol, XLogP of 2.47, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2-methylphenyl)methyl]-5-piperidin-4-yl-3-(2-pyridin-4-ylethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 95218964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).