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

C14H13F2N5O2 — CID 71914279

IUPAC3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccccn2)NC(=O)N(Cc2nccn2C(F)F)C1=O
InChIInChI=1S/C14H13F2N5O2/c1-14(9-4-2-3-5-17-9)11(22)21(13(23)19-14)8-10-18-6-7-20(10)12(15)16/h2-7,12H,8H2,1H3,(H,19,23)
InChIKeyGCSJZCMCMPEBFD-UHFFFAOYSA-N
MW321.29 g/mol
LogP1.64
Rot. Bonds4

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

3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (PubChem CID 71914279) has the molecular formula C14H13F2N5O2 and a molecular weight of 321.29 g/mol. Its IUPAC name is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
PubChem CID71914279
Molecular FormulaC14H13F2N5O2
Molecular Weight321.29 g/mol
Exact Mass321.10
IUPAC Name3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
SMILESCC1(c2ccccn2)NC(=O)N(Cc2nccn2C(F)F)C1=O
InChIInChI=1S/C14H13F2N5O2/c1-14(9-4-2-3-5-17-9)11(22)21(13(23)19-14)8-10-18-6-7-20(10)12(15)16/h2-7,12H,8H2,1H3,(H,19,23)
InChIKeyGCSJZCMCMPEBFD-UHFFFAOYSA-N
XLogP1.64
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.29
LogP ≤ 51.64
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 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The IUPAC name of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione (CID 71914279) is 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The canonical SMILES for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is CC1(c2ccccn2)NC(=O)N(Cc2nccn2C(F)F)C1=O.
What is the InChIKey of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
The InChIKey is GCSJZCMCMPEBFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F2N5O2/c1-14(9-4-2-3-5-17-9)11(22)21(13(23)19-14)8-10-18-6-7-20(10)12(15)16/h2-7,12H,8H2,1H3,(H,19,23).
What are the key properties of 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione?
3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione has a molecular weight of 321.29 g/mol, XLogP of 1.64, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione is sourced from PubChem (CID 71914279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).