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

C15H20F2N4O2 — CID 22110785

IUPAC5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCCCC2)NC(=O)N(Cc2nccn2C(F)F)C1=O
InChIInChI=1S/C15H20F2N4O2/c1-15(10-5-3-2-4-6-10)12(22)21(14(23)19-15)9-11-18-7-8-20(11)13(16)17/h7-8,10,13H,2-6,9H2,1H3,(H,19,23)
InChIKeyHWCKOTKBHSYGNA-UHFFFAOYSA-N
MW326.35 g/mol
LogP2.67
Rot. Bonds4

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

5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (PubChem CID 22110785) has the molecular formula C15H20F2N4O2 and a molecular weight of 326.35 g/mol. Its IUPAC name is 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
PubChem CID22110785
Molecular FormulaC15H20F2N4O2
Molecular Weight326.35 g/mol
Exact Mass326.16
IUPAC Name5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione
SMILESCC1(C2CCCCC2)NC(=O)N(Cc2nccn2C(F)F)C1=O
InChIInChI=1S/C15H20F2N4O2/c1-15(10-5-3-2-4-6-10)12(22)21(14(23)19-15)9-11-18-7-8-20(11)13(16)17/h7-8,10,13H,2-6,9H2,1H3,(H,19,23)
InChIKeyHWCKOTKBHSYGNA-UHFFFAOYSA-N
XLogP2.67
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 52.67
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 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione (CID 22110785) is 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is CC1(C2CCCCC2)NC(=O)N(Cc2nccn2C(F)F)C1=O.
What is the InChIKey of 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
The InChIKey is HWCKOTKBHSYGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N4O2/c1-15(10-5-3-2-4-6-10)12(22)21(14(23)19-15)9-11-18-7-8-20(11)13(16)17/h7-8,10,13H,2-6,9H2,1H3,(H,19,23).
What are the key properties of 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione?
5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 326.35 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclohexyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 22110785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).