4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C17H13N5O — CID 135549280

IUPAC4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2cc3ccccc3o2)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H13N5O/c18-16-20-15(14-9-10-5-1-4-8-13(10)23-14)22-12-7-3-2-6-11(12)19-17(22)21-16/h1-9,15H,(H3,18,19,20,21)
InChIKeyNJFGUDCAICKHRH-UHFFFAOYSA-N
MW303.32 g/mol
LogP3.07
Rot. Bonds1

About 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 135549280) has the molecular formula C17H13N5O and a molecular weight of 303.32 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID135549280
Molecular FormulaC17H13N5O
Molecular Weight303.32 g/mol
Exact Mass303.11
IUPAC Name4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESNC1=NC(c2cc3ccccc3o2)n2c(nc3ccccc32)N1
InChIInChI=1S/C17H13N5O/c18-16-20-15(14-9-10-5-1-4-8-13(10)23-14)22-12-7-3-2-6-11(12)19-17(22)21-16/h1-9,15H,(H3,18,19,20,21)
InChIKeyNJFGUDCAICKHRH-UHFFFAOYSA-N
XLogP3.07
TPSA81.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.32
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 135549280) is 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is NC1=NC(c2cc3ccccc3o2)n2c(nc3ccccc32)N1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is NJFGUDCAICKHRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O/c18-16-20-15(14-9-10-5-1-4-8-13(10)23-14)22-12-7-3-2-6-11(12)19-17(22)21-16/h1-9,15H,(H3,18,19,20,21).
What are the key properties of 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 303.32 g/mol, XLogP of 3.07, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 135549280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).