10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione

C17H14N4O2 — CID 44631621

IUPAC10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
SMILESCn1c(=O)nc2n(Cc3ccccc3)c3ccccc3n2c1=O
InChIInChI=1S/C17H14N4O2/c1-19-16(22)18-15-20(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)21(15)17(19)23/h2-10H,11H2,1H3
InChIKeyANHZDNIFDFITSZ-UHFFFAOYSA-N
MW306.33 g/mol
LogP1.40
Rot. Bonds2

About 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione

10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione (PubChem CID 44631621) has the molecular formula C17H14N4O2 and a molecular weight of 306.33 g/mol. Its IUPAC name is 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione.

Molecular Properties

Compound Name10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
PubChem CID44631621
Molecular FormulaC17H14N4O2
Molecular Weight306.33 g/mol
Exact Mass306.11
IUPAC Name10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione
SMILESCn1c(=O)nc2n(Cc3ccccc3)c3ccccc3n2c1=O
InChIInChI=1S/C17H14N4O2/c1-19-16(22)18-15-20(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)21(15)17(19)23/h2-10H,11H2,1H3
InChIKeyANHZDNIFDFITSZ-UHFFFAOYSA-N
XLogP1.40
TPSA61.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.33
LogP ≤ 51.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

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CID 6492681
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CID 16676028
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CID 153298149
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CID 70453231
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Frequently Asked Questions

What is the IUPAC name of 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
The IUPAC name of 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione (CID 44631621) is 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione.
What is the SMILES notation for 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
The canonical SMILES for 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione is Cn1c(=O)nc2n(Cc3ccccc3)c3ccccc3n2c1=O.
What is the InChIKey of 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
The InChIKey is ANHZDNIFDFITSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N4O2/c1-19-16(22)18-15-20(11-12-7-3-2-4-8-12)13-9-5-6-10-14(13)21(15)17(19)23/h2-10H,11H2,1H3.
What are the key properties of 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione?
10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione has a molecular weight of 306.33 g/mol, XLogP of 1.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 10-benzyl-3-methyl-[1,3,5]triazino[1,2-a]benzimidazole-2,4-dione is sourced from PubChem (CID 44631621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).