3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole

C17H18N4O — CID 943006

IUPAC3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCOc1ccc(CN2CNc3nc4ccccc4n3C2)cc1
InChIInChI=1S/C17H18N4O/c1-22-14-8-6-13(7-9-14)10-20-11-18-17-19-15-4-2-3-5-16(15)21(17)12-20/h2-9H,10-12H2,1H3,(H,18,19)
InChIKeyFUYOIHZUYLJNMJ-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.89
Rot. Bonds3

About 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole

3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 943006) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID943006
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCOc1ccc(CN2CNc3nc4ccccc4n3C2)cc1
InChIInChI=1S/C17H18N4O/c1-22-14-8-6-13(7-9-14)10-20-11-18-17-19-15-4-2-3-5-16(15)21(17)12-20/h2-9H,10-12H2,1H3,(H,18,19)
InChIKeyFUYOIHZUYLJNMJ-UHFFFAOYSA-N
XLogP2.89
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole (CID 943006) is 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is COc1ccc(CN2CNc3nc4ccccc4n3C2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is FUYOIHZUYLJNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-22-14-8-6-13(7-9-14)10-20-11-18-17-19-15-4-2-3-5-16(15)21(17)12-20/h2-9H,10-12H2,1H3,(H,18,19).
What are the key properties of 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole?
3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 294.36 g/mol, XLogP of 2.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methoxyphenyl)methyl]-2,4-dihydro-1H-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 943006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).