4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

C20H17N5O — CID 4979744

IUPAC4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCOc1cccc2cccc(C3N=C(N)Nc4nc5ccccc5n43)c12
InChIInChI=1S/C20H17N5O/c1-26-16-11-5-7-12-6-4-8-13(17(12)16)18-23-19(21)24-20-22-14-9-2-3-10-15(14)25(18)20/h2-11,18H,1H3,(H3,21,22,23,24)
InChIKeyXHELBNITNZANBT-UHFFFAOYSA-N
MW343.39 g/mol
LogP3.49
Rot. Bonds2

About 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine

4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (PubChem CID 4979744) has the molecular formula C20H17N5O and a molecular weight of 343.39 g/mol. Its IUPAC name is 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.

Molecular Properties

Compound Name4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
PubChem CID4979744
Molecular FormulaC20H17N5O
Molecular Weight343.39 g/mol
Exact Mass343.14
IUPAC Name4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine
SMILESCOc1cccc2cccc(C3N=C(N)Nc4nc5ccccc5n43)c12
InChIInChI=1S/C20H17N5O/c1-26-16-11-5-7-12-6-4-8-13(17(12)16)18-23-19(21)24-20-22-14-9-2-3-10-15(14)25(18)20/h2-11,18H,1H3,(H3,21,22,23,24)
InChIKeyXHELBNITNZANBT-UHFFFAOYSA-N
XLogP3.49
TPSA77.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The IUPAC name of 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine (CID 4979744) is 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine.
What is the SMILES notation for 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The canonical SMILES for 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is COc1cccc2cccc(C3N=C(N)Nc4nc5ccccc5n43)c12.
What is the InChIKey of 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
The InChIKey is XHELBNITNZANBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O/c1-26-16-11-5-7-12-6-4-8-13(17(12)16)18-23-19(21)24-20-22-14-9-2-3-10-15(14)25(18)20/h2-11,18H,1H3,(H3,21,22,23,24).
What are the key properties of 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine?
4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine has a molecular weight of 343.39 g/mol, XLogP of 3.49, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(8-methoxynaphthalen-1-yl)-1,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-2-amine is sourced from PubChem (CID 4979744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).