5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

C22H22F2N4O6 — CID 4782421

IUPAC5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C22H22F2N4O6/c1-22(14-4-6-15(7-5-14)34-20(23)24)19(31)28(21(32)25-22)13-17(29)26-8-10-27(11-9-26)18(30)16-3-2-12-33-16/h2-7,12,20H,8-11,13H2,1H3,(H,25,32)
InChIKeyZCZXDRRYLLRWPZ-UHFFFAOYSA-N
MW476.44 g/mol
LogP1.63
Rot. Bonds6

About 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione

5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (PubChem CID 4782421) has the molecular formula C22H22F2N4O6 and a molecular weight of 476.44 g/mol. Its IUPAC name is 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
PubChem CID4782421
Molecular FormulaC22H22F2N4O6
Molecular Weight476.44 g/mol
Exact Mass476.15
IUPAC Name5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O
InChIInChI=1S/C22H22F2N4O6/c1-22(14-4-6-15(7-5-14)34-20(23)24)19(31)28(21(32)25-22)13-17(29)26-8-10-27(11-9-26)18(30)16-3-2-12-33-16/h2-7,12,20H,8-11,13H2,1H3,(H,25,32)
InChIKeyZCZXDRRYLLRWPZ-UHFFFAOYSA-N
XLogP1.63
TPSA112.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 51.63
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-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione (CID 4782421) is 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is CC1(c2ccc(OC(F)F)cc2)NC(=O)N(CC(=O)N2CCN(C(=O)c3ccco3)CC2)C1=O.
What is the InChIKey of 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is ZCZXDRRYLLRWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N4O6/c1-22(14-4-6-15(7-5-14)34-20(23)24)19(31)28(21(32)25-22)13-17(29)26-8-10-27(11-9-26)18(30)16-3-2-12-33-16/h2-7,12,20H,8-11,13H2,1H3,(H,25,32).
What are the key properties of 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione?
5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 476.44 g/mol, XLogP of 1.63, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethoxy)phenyl]-3-[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 4782421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).