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

C21H24N4O — CID 4969785

IUPAC3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1ccc(CN2CN(CC3CCCO3)c3nc4ccccc4n3C2)cc1
InChIInChI=1S/C21H24N4O/c1-2-7-17(8-3-1)13-23-15-24(14-18-9-6-12-26-18)21-22-19-10-4-5-11-20(19)25(21)16-23/h1-5,7-8,10-11,18H,6,9,12-16H2
InChIKeyUBQDCNWTUHNOMB-UHFFFAOYSA-N
MW348.45 g/mol
LogP3.45
Rot. Bonds4

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

3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 4969785) has the molecular formula C21H24N4O and a molecular weight of 348.45 g/mol. Its IUPAC name is 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID4969785
Molecular FormulaC21H24N4O
Molecular Weight348.45 g/mol
Exact Mass348.20
IUPAC Name3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1ccc(CN2CN(CC3CCCO3)c3nc4ccccc4n3C2)cc1
InChIInChI=1S/C21H24N4O/c1-2-7-17(8-3-1)13-23-15-24(14-18-9-6-12-26-18)21-22-19-10-4-5-11-20(19)25(21)16-23/h1-5,7-8,10-11,18H,6,9,12-16H2
InChIKeyUBQDCNWTUHNOMB-UHFFFAOYSA-N
XLogP3.45
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 97182663
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
1-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 666255
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
4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
CID 8003412
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
(3aS,6aR)-2-benzyl-5-[[(2R)-oxolan-2-yl]methyl]-1,3,3a,6a-tetrahydropyrrolo[3,4-c]pyrrole-4,6-dione
CID 126422720
1-(2-methoxyethyl)-3-[(4-methoxyphenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 16765798
(2S)-1-[3-[(3-chlorophenyl)methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-1-yl]propan-2-ol
CID 8003394
[2-oxo-2-(oxolan-2-ylmethylamino)ethyl] 2-(1-benzylbenzimidazol-2-yl)sulfanylacetate
CID 46267736
N-[[(2R)-4-benzylmorpholin-2-yl]methyl]-2-[4,5-dimethyl-1-[[(2R)-oxolan-2-yl]methyl]imidazol-2-yl]sulfanylacetamide
CID 98684224

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (CID 4969785) is 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is c1ccc(CN2CN(CC3CCCO3)c3nc4ccccc4n3C2)cc1.
What is the InChIKey of 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is UBQDCNWTUHNOMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O/c1-2-7-17(8-3-1)13-23-15-24(14-18-9-6-12-26-18)21-22-19-10-4-5-11-20(19)25(21)16-23/h1-5,7-8,10-11,18H,6,9,12-16H2.
What are the key properties of 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 348.45 g/mol, XLogP of 3.45, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 4969785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).