1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione

C13H12N4O2 — CID 141037906

IUPAC1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ncc(-c3ccccc3)[nH]2)C(=O)N1
InChIInChI=1S/C13H12N4O2/c18-11-6-7-17(13(19)16-11)12-14-8-10(15-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)(H,16,18,19)
InChIKeyXNBBPIWYJUQLNC-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.52
Rot. Bonds2

About 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione

1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione (PubChem CID 141037906) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione
PubChem CID141037906
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ncc(-c3ccccc3)[nH]2)C(=O)N1
InChIInChI=1S/C13H12N4O2/c18-11-6-7-17(13(19)16-11)12-14-8-10(15-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)(H,16,18,19)
InChIKeyXNBBPIWYJUQLNC-UHFFFAOYSA-N
XLogP1.52
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione (CID 141037906) is 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ncc(-c3ccccc3)[nH]2)C(=O)N1.
What is the InChIKey of 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione?
The InChIKey is XNBBPIWYJUQLNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c18-11-6-7-17(13(19)16-11)12-14-8-10(15-12)9-4-2-1-3-5-9/h1-5,8H,6-7H2,(H,14,15)(H,16,18,19).
What are the key properties of 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione?
1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione has a molecular weight of 256.26 g/mol, XLogP of 1.52, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-phenyl-1H-imidazol-2-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 141037906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).