(5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

C27H26N4O4 — CID 41176160

About (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione

(5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (PubChem CID 41176160) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
• PubChem CID: 41176160
• Molecular Formula: C27H26N4O4
• Molecular Weight: 470.53 g/mol
• Exact Mass: 470.20
• IUPAC Name: (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione
• SMILES: CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1=O
• InChI: InChI=1S/C27H26N4O4/c1-3-27(20-8-5-4-6-9-20)25(33)30(26(34)28-27)17-24(32)31-22(23-10-7-15-35-23)16-21(29-31)19-13-11-18(2)12-14-19/h4-15,22H,3,16-17H2,1-2H3,(H,28,34)/t22-,27+/m0/s1
• InChIKey: BQQLNYSEYAEFRQ-WXVAWEFUSA-N
• XLogP: 4.12
• TPSA: 95.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.53
LogP ≤ 5	4.12
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-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

The IUPAC name of (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione (CID 41176160) is (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione.

What is the SMILES notation for (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

The canonical SMILES for (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is CC[C@]1(c2ccccc2)NC(=O)N(CC(=O)N2N=C(c3ccc(C)cc3)C[C@H]2c2ccco2)C1=O.

What is the InChIKey of (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

The InChIKey is BQQLNYSEYAEFRQ-WXVAWEFUSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-3-27(20-8-5-4-6-9-20)25(33)30(26(34)28-27)17-24(32)31-22(23-10-7-15-35-23)16-21(29-31)19-13-11-18(2)12-14-19/h4-15,22H,3,16-17H2,1-2H3,(H,28,34)/t22-,27+/m0/s1.

What are the key properties of (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione?

(5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione has a molecular weight of 470.53 g/mol, XLogP of 4.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-ethyl-3-[2-[(3S)-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-5-phenylimidazolidine-2,4-dione is sourced from PubChem (CID 41176160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).