5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

C26H34N4O4 — CID 45189354

IUPAC5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCc1cc(C(=O)N2CCC(C3(CCC(C)C)NC(=O)N(Cc4ccccn4)C3=O)CC2)c(C)o1
InChIInChI=1S/C26H34N4O4/c1-17(2)8-11-26(24(32)30(25(33)28-26)16-21-7-5-6-12-27-21)20-9-13-29(14-10-20)23(31)22-15-18(3)34-19(22)4/h5-7,12,15,17,20H,8-11,13-14,16H2,1-4H3,(H,28,33)
InChIKeyTUFOMDHRDNFPKR-UHFFFAOYSA-N
MW466.58 g/mol
LogP4.07
Rot. Bonds7

About 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione

5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (PubChem CID 45189354) has the molecular formula C26H34N4O4 and a molecular weight of 466.58 g/mol. Its IUPAC name is 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
PubChem CID45189354
Molecular FormulaC26H34N4O4
Molecular Weight466.58 g/mol
Exact Mass466.26
IUPAC Name5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione
SMILESCc1cc(C(=O)N2CCC(C3(CCC(C)C)NC(=O)N(Cc4ccccn4)C3=O)CC2)c(C)o1
InChIInChI=1S/C26H34N4O4/c1-17(2)8-11-26(24(32)30(25(33)28-26)16-21-7-5-6-12-27-21)20-9-13-29(14-10-20)23(31)22-15-18(3)34-19(22)4/h5-7,12,15,17,20H,8-11,13-14,16H2,1-4H3,(H,28,33)
InChIKeyTUFOMDHRDNFPKR-UHFFFAOYSA-N
XLogP4.07
TPSA95.75 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.58
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione (CID 45189354) is 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is Cc1cc(C(=O)N2CCC(C3(CCC(C)C)NC(=O)N(Cc4ccccn4)C3=O)CC2)c(C)o1.
What is the InChIKey of 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is TUFOMDHRDNFPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H34N4O4/c1-17(2)8-11-26(24(32)30(25(33)28-26)16-21-7-5-6-12-27-21)20-9-13-29(14-10-20)23(31)22-15-18(3)34-19(22)4/h5-7,12,15,17,20H,8-11,13-14,16H2,1-4H3,(H,28,33).
What are the key properties of 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione?
5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 466.58 g/mol, XLogP of 4.07, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,5-dimethylfuran-3-carbonyl)piperidin-4-yl]-5-(3-methylbutyl)-3-(pyridin-2-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 45189354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).