1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

C17H20N4O — CID 666805

IUPAC1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCCCN1CN(Cc2ccco2)c2nc3ccccc3n2C1
InChIInChI=1S/C17H20N4O/c1-2-9-19-12-20(11-14-6-5-10-22-14)17-18-15-7-3-4-8-16(15)21(17)13-19/h3-8,10H,2,9,11-13H2,1H3
InChIKeyISOXPBYVJUUKPN-UHFFFAOYSA-N
MW296.37 g/mol
LogP3.28
Rot. Bonds4

About 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 666805) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID666805
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCCCN1CN(Cc2ccco2)c2nc3ccccc3n2C1
InChIInChI=1S/C17H20N4O/c1-2-9-19-12-20(11-14-6-5-10-22-14)17-18-15-7-3-4-8-16(15)21(17)13-19/h3-8,10H,2,9,11-13H2,1H3
InChIKeyISOXPBYVJUUKPN-UHFFFAOYSA-N
XLogP3.28
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (CID 666805) is 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is CCCN1CN(Cc2ccco2)c2nc3ccccc3n2C1.
What is the InChIKey of 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is ISOXPBYVJUUKPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c1-2-9-19-12-20(11-14-6-5-10-22-14)17-18-15-7-3-4-8-16(15)21(17)13-19/h3-8,10H,2,9,11-13H2,1H3.
What are the key properties of 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 296.37 g/mol, XLogP of 3.28, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-3-propyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 666805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).