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

C16H22F2N4O2 — CID 138012204

IUPAC5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(C2CCCCCC2)C(=O)N1Cc1nccn1C(F)F
InChIInChI=1S/C16H22F2N4O2/c17-15(18)21-8-7-19-13(21)10-22-14(23)12(9-20-16(22)24)11-5-3-1-2-4-6-11/h7-8,11-12,15H,1-6,9-10H2,(H,20,24)
InChIKeyJXKNRODCQAPYJV-UHFFFAOYSA-N
MW340.37 g/mol
LogP2.92
Rot. Bonds4

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

5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione (PubChem CID 138012204) has the molecular formula C16H22F2N4O2 and a molecular weight of 340.37 g/mol. Its IUPAC name is 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione
PubChem CID138012204
Molecular FormulaC16H22F2N4O2
Molecular Weight340.37 g/mol
Exact Mass340.17
IUPAC Name5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione
SMILESO=C1NCC(C2CCCCCC2)C(=O)N1Cc1nccn1C(F)F
InChIInChI=1S/C16H22F2N4O2/c17-15(18)21-8-7-19-13(21)10-22-14(23)12(9-20-16(22)24)11-5-3-1-2-4-6-11/h7-8,11-12,15H,1-6,9-10H2,(H,20,24)
InChIKeyJXKNRODCQAPYJV-UHFFFAOYSA-N
XLogP2.92
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
The IUPAC name of 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione (CID 138012204) is 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione.
What is the SMILES notation for 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
The canonical SMILES for 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione is O=C1NCC(C2CCCCCC2)C(=O)N1Cc1nccn1C(F)F.
What is the InChIKey of 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
The InChIKey is JXKNRODCQAPYJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N4O2/c17-15(18)21-8-7-19-13(21)10-22-14(23)12(9-20-16(22)24)11-5-3-1-2-4-6-11/h7-8,11-12,15H,1-6,9-10H2,(H,20,24).
What are the key properties of 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione?
5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione has a molecular weight of 340.37 g/mol, XLogP of 2.92, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cycloheptyl-3-[[1-(difluoromethyl)imidazol-2-yl]methyl]-1,3-diazinane-2,4-dione is sourced from PubChem (CID 138012204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).