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

C11H10N4O2 — CID 163231131

IUPAC1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3nc[nH]c3c2)C(=O)N1
InChIInChI=1S/C11H10N4O2/c16-10-3-4-15(11(17)14-10)7-1-2-8-9(5-7)13-6-12-8/h1-2,5-6H,3-4H2,(H,12,13)(H,14,16,17)
InChIKeyGOUIGMBIFMXUFN-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.01
Rot. Bonds1

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

1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione (PubChem CID 163231131) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione.

Molecular Properties

Compound Name1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
PubChem CID163231131
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione
SMILESO=C1CCN(c2ccc3nc[nH]c3c2)C(=O)N1
InChIInChI=1S/C11H10N4O2/c16-10-3-4-15(11(17)14-10)7-1-2-8-9(5-7)13-6-12-8/h1-2,5-6H,3-4H2,(H,12,13)(H,14,16,17)
InChIKeyGOUIGMBIFMXUFN-UHFFFAOYSA-N
XLogP1.01
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione?
The IUPAC name of 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione (CID 163231131) is 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione.
What is the SMILES notation for 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione?
The canonical SMILES for 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione is O=C1CCN(c2ccc3nc[nH]c3c2)C(=O)N1.
What is the InChIKey of 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione?
The InChIKey is GOUIGMBIFMXUFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-10-3-4-15(11(17)14-10)7-1-2-8-9(5-7)13-6-12-8/h1-2,5-6H,3-4H2,(H,12,13)(H,14,16,17).
What are the key properties of 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione?
1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione has a molecular weight of 230.23 g/mol, XLogP of 1.01, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3H-benzimidazol-5-yl)-1,3-diazinane-2,4-dione is sourced from PubChem (CID 163231131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).