5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

C25H28N4O4S — CID 45166302

IUPAC5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3cc4ccccc4o3)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C25H28N4O4S/c1-3-25(23(31)29(24(32)27-25)13-10-21-16(2)26-15-34-21)18-8-11-28(12-9-18)22(30)20-14-17-6-4-5-7-19(17)33-20/h4-7,14-15,18H,3,8-13H2,1-2H3,(H,27,32)
InChIKeyFORZPAFSRIRBKV-UHFFFAOYSA-N
MW480.59 g/mol
LogP3.99
Rot. Bonds6

About 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione

5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (PubChem CID 45166302) has the molecular formula C25H28N4O4S and a molecular weight of 480.59 g/mol. Its IUPAC name is 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
PubChem CID45166302
Molecular FormulaC25H28N4O4S
Molecular Weight480.59 g/mol
Exact Mass480.18
IUPAC Name5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione
SMILESCCC1(C2CCN(C(=O)c3cc4ccccc4o3)CC2)NC(=O)N(CCc2scnc2C)C1=O
InChIInChI=1S/C25H28N4O4S/c1-3-25(23(31)29(24(32)27-25)13-10-21-16(2)26-15-34-21)18-8-11-28(12-9-18)22(30)20-14-17-6-4-5-7-19(17)33-20/h4-7,14-15,18H,3,8-13H2,1-2H3,(H,27,32)
InChIKeyFORZPAFSRIRBKV-UHFFFAOYSA-N
XLogP3.99
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.59
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione (CID 45166302) is 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is CCC1(C2CCN(C(=O)c3cc4ccccc4o3)CC2)NC(=O)N(CCc2scnc2C)C1=O.
What is the InChIKey of 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
The InChIKey is FORZPAFSRIRBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N4O4S/c1-3-25(23(31)29(24(32)27-25)13-10-21-16(2)26-15-34-21)18-8-11-28(12-9-18)22(30)20-14-17-6-4-5-7-19(17)33-20/h4-7,14-15,18H,3,8-13H2,1-2H3,(H,27,32).
What are the key properties of 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione?
5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione has a molecular weight of 480.59 g/mol, XLogP of 3.99, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(1-benzofuran-2-carbonyl)piperidin-4-yl]-5-ethyl-3-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]imidazolidine-2,4-dione is sourced from PubChem (CID 45166302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).