3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione

C18H20F2N4O2 — CID 78828597

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(Cc3nccn3C(F)F)C2=O)cc1
InChIInChI=1S/C18H20F2N4O2/c1-3-4-12-5-7-13(8-6-12)18(2)15(25)24(17(26)22-18)11-14-21-9-10-23(14)16(19)20/h5-10,16H,3-4,11H2,1-2H3,(H,22,26)
InChIKeyXWSUYGHZEHEBHH-UHFFFAOYSA-N
MW362.38 g/mol
LogP3.20
Rot. Bonds6

About 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione

3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (PubChem CID 78828597) has the molecular formula C18H20F2N4O2 and a molecular weight of 362.38 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
PubChem CID78828597
Molecular FormulaC18H20F2N4O2
Molecular Weight362.38 g/mol
Exact Mass362.16
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione
SMILESCCCc1ccc(C2(C)NC(=O)N(Cc3nccn3C(F)F)C2=O)cc1
InChIInChI=1S/C18H20F2N4O2/c1-3-4-12-5-7-13(8-6-12)18(2)15(25)24(17(26)22-18)11-14-21-9-10-23(14)16(19)20/h5-10,16H,3-4,11H2,1-2H3,(H,22,26)
InChIKeyXWSUYGHZEHEBHH-UHFFFAOYSA-N
XLogP3.20
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.38
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione (CID 78828597) is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is CCCc1ccc(C2(C)NC(=O)N(Cc3nccn3C(F)F)C2=O)cc1.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
The InChIKey is XWSUYGHZEHEBHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N4O2/c1-3-4-12-5-7-13(8-6-12)18(2)15(25)24(17(26)22-18)11-14-21-9-10-23(14)16(19)20/h5-10,16H,3-4,11H2,1-2H3,(H,22,26).
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione?
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione has a molecular weight of 362.38 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-(4-propylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 78828597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).