2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol

C16H22N4O2 — CID 17190551

IUPAC2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol
SMILESOCCN1CN(CC2CCCO2)c2nc3ccccc3n2C1
InChIInChI=1S/C16H22N4O2/c21-8-7-18-11-19(10-13-4-3-9-22-13)16-17-14-5-1-2-6-15(14)20(16)12-18/h1-2,5-6,13,21H,3-4,7-12H2
InChIKeyMQHLCSDHPSRHFI-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.24
Rot. Bonds4

About 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol

2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol (PubChem CID 17190551) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol
PubChem CID17190551
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC Name2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol
SMILESOCCN1CN(CC2CCCO2)c2nc3ccccc3n2C1
InChIInChI=1S/C16H22N4O2/c21-8-7-18-11-19(10-13-4-3-9-22-13)16-17-14-5-1-2-6-15(14)20(16)12-18/h1-2,5-6,13,21H,3-4,7-12H2
InChIKeyMQHLCSDHPSRHFI-UHFFFAOYSA-N
XLogP1.24
TPSA53.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol with MolForge

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Related Compounds

1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 97182663
3-(3-methylbutyl)-1-[[(2R)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 124717215
3-benzyl-1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 4969785
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-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 666255
2-(1,2-dihydroimidazo[1,2-a]benzimidazol-3-yl)ethanol
CID 19876800
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
2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]ethanethioamide
CID 55244932
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
2-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethanol
CID 94190741
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230

Frequently Asked Questions

What is the IUPAC name of 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol?
The IUPAC name of 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol (CID 17190551) is 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol.
What is the SMILES notation for 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol?
The canonical SMILES for 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol is OCCN1CN(CC2CCCO2)c2nc3ccccc3n2C1.
What is the InChIKey of 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol?
The InChIKey is MQHLCSDHPSRHFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c21-8-7-18-11-19(10-13-4-3-9-22-13)16-17-14-5-1-2-6-15(14)20(16)12-18/h1-2,5-6,13,21H,3-4,7-12H2.
What are the key properties of 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol?
2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol has a molecular weight of 302.38 g/mol, XLogP of 1.24, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl]ethanol is sourced from PubChem (CID 17190551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).