(5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione

C₂₁H₂₃N₃O₄ — CID 152700236

About (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione

(5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (PubChem CID 152700236) has the molecular formula C₂₁H₂₃N₃O₄ and a molecular weight of 381.43 g/mol. Its IUPAC name is (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
• PubChem CID: 152700236
• Molecular Formula: C₂₁H₂₃N₃O₄
• Molecular Weight: 381.43 g/mol
• Exact Mass: 381.17
• IUPAC Name: (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione
• SMILES: CC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3C[C@H](C)CO4)nc2)C1=O
• InChI: InChI=1S/C21H23N3O4/c1-4-21(3)19(25)24(20(26)23-21)14-8-9-18(22-11-14)28-17-7-5-6-16-15(17)10-13(2)12-27-16/h5-9,11,13H,4,10,12H2,1-3H3,(H,23,26)/t13-,21+/m0/s1
• InChIKey: ZRKOWATVZZCKMN-YEJXKQKISA-N
• XLogP: 3.67
• TPSA: 80.76 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	381.43
LogP ≤ 5	3.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?

The IUPAC name of (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione (CID 152700236) is (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is CC[C@@]1(C)NC(=O)N(c2ccc(Oc3cccc4c3C[C@H](C)CO4)nc2)C1=O.

What is the InChIKey of (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?

The InChIKey is ZRKOWATVZZCKMN-YEJXKQKISA-N. The full InChI is InChI=1S/C21H23N3O4/c1-4-21(3)19(25)24(20(26)23-21)14-8-9-18(22-11-14)28-17-7-5-6-16-15(17)10-13(2)12-27-16/h5-9,11,13H,4,10,12H2,1-3H3,(H,23,26)/t13-,21+/m0/s1.

What are the key properties of (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione?

(5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione has a molecular weight of 381.43 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-ethyl-5-methyl-3-[6-[[(3S)-3-methyl-3,4-dihydro-2H-chromen-5-yl]oxy]-3-pyridinyl]imidazolidine-2,4-dione is sourced from PubChem (CID 152700236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 152700236 — identifiers, structure, computed properties (public domain)

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