1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

C22H26N4O2 — CID 666255

IUPAC1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1n2CN(CC2CCCO2)CN1Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-27-18-9-10-21-20(12-18)23-22-25(13-17-6-3-2-4-7-17)15-24(16-26(21)22)14-19-8-5-11-28-19/h2-4,6-7,9-10,12,19H,5,8,11,13-16H2,1H3
InChIKeyUPEJPPWFTGSHOP-UHFFFAOYSA-N
MW378.48 g/mol
LogP3.46
Rot. Bonds5

About 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 666255) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID666255
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESCOc1ccc2c(c1)nc1n2CN(CC2CCCO2)CN1Cc1ccccc1
InChIInChI=1S/C22H26N4O2/c1-27-18-9-10-21-20(12-18)23-22-25(13-17-6-3-2-4-7-17)15-24(16-26(21)22)14-19-8-5-11-28-19/h2-4,6-7,9-10,12,19H,5,8,11,13-16H2,1H3
InChIKeyUPEJPPWFTGSHOP-UHFFFAOYSA-N
XLogP3.46
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole with MolForge

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Related Compounds

3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 4969785
1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 97182663
7-benzyl-1-(4-methoxyphenyl)-8-methyl-3-(oxolan-2-ylmethyl)-2,4-dihydropyrimido[1,2-a][1,3,5]triazin-6-one
CID 43865495
2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol
CID 17190551
3-(3-methylbutyl)-1-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 124717215
3-[[(2R)-oxolan-2-yl]methyl]-1-(1,2,4-triazol-4-yl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 29103270
1-(4-methoxyphenyl)-3-[[(2R)-oxolan-2-yl]methyl]-6-phenyl-2,4-dihydro-1,3,5-triazine
CID 93488548
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 16765798
7-[(3-methoxyphenyl)methyl]-1-(oxolan-2-ylmethyl)-3-phenylpurine-2,6-dione
CID 42862989
[1-benzyl-3-(3-methoxyphenyl)pyrazol-4-yl]-[4-(oxolan-2-ylmethyl)piperazin-1-yl]methanone
CID 55368510
3-benzyl-8-(4-methoxyphenyl)-7-[[(2R)-oxolan-2-yl]methyl]purine-2,6-dione
CID 25341710
2-[(3-methoxyphenyl)methyl]oxolane
CID 10607780

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (CID 666255) is 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is COc1ccc2c(c1)nc1n2CN(CC2CCCO2)CN1Cc1ccccc1.
What is the InChIKey of 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is UPEJPPWFTGSHOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-27-18-9-10-21-20(12-18)23-22-25(13-17-6-3-2-4-7-17)15-24(16-26(21)22)14-19-8-5-11-28-19/h2-4,6-7,9-10,12,19H,5,8,11,13-16H2,1H3.
What are the key properties of 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 378.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 666255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).