1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

C19H26N4O2 — CID 97182663

IUPAC1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n2CN(C[C@@H]2CCCO2)CN1C[C@@H]1CCCO1
InChIInChI=1S/C19H26N4O2/c1-2-8-18-17(7-1)20-19-22(12-16-6-4-10-25-16)13-21(14-23(18)19)11-15-5-3-9-24-15/h1-2,7-8,15-16H,3-6,9-14H2/t15-,16-/m0/s1
InChIKeyHFTWNFRFSGOQKX-HOTGVXAUSA-N
MW342.44 g/mol
LogP2.43
Rot. Bonds4

About 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole

1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (PubChem CID 97182663) has the molecular formula C19H26N4O2 and a molecular weight of 342.44 g/mol. Its IUPAC name is 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.

Molecular Properties

Compound Name1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
PubChem CID97182663
Molecular FormulaC19H26N4O2
Molecular Weight342.44 g/mol
Exact Mass342.21
IUPAC Name1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
SMILESc1ccc2c(c1)nc1n2CN(C[C@@H]2CCCO2)CN1C[C@@H]1CCCO1
InChIInChI=1S/C19H26N4O2/c1-2-8-18-17(7-1)20-19-22(12-16-6-4-10-25-16)13-21(14-23(18)19)11-15-5-3-9-24-15/h1-2,7-8,15-16H,3-6,9-14H2/t15-,16-/m0/s1
InChIKeyHFTWNFRFSGOQKX-HOTGVXAUSA-N
XLogP2.43
TPSA42.76 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.44
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1,3-bis[[(2S)-oxolan-2-yl]methyl]-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
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-benzyl-8-methoxy-3-(oxolan-2-ylmethyl)-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole
CID 666255
2-(chloromethyl)-1-(oxolan-2-ylmethyl)benzimidazole
CID 43149486
2-methylsulfonyl-1-(oxolan-2-ylmethyl)benzimidazole
CID 154760702
3-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]propan-1-amine
CID 50877230
2-[1-(oxolan-2-ylmethyl)benzimidazol-2-yl]ethanethioamide
CID 55244932
3-methyl-1-[[(2R)-oxan-2-yl]methyl]quinoxalin-2-one
CID 97196072
N-[(1-ethylbenzimidazol-2-yl)methyl]-1-[(2R)-oxolan-2-yl]methanamine
CID 93418668
2-methyl-1-[3-(oxolan-2-yl)propyl]benzimidazole
CID 79762204

Frequently Asked Questions

What is the IUPAC name of 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The IUPAC name of 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole (CID 97182663) is 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole.
What is the SMILES notation for 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The canonical SMILES for 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is c1ccc2c(c1)nc1n2CN(C[C@@H]2CCCO2)CN1C[C@@H]1CCCO1.
What is the InChIKey of 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
The InChIKey is HFTWNFRFSGOQKX-HOTGVXAUSA-N. The full InChI is InChI=1S/C19H26N4O2/c1-2-8-18-17(7-1)20-19-22(12-16-6-4-10-25-16)13-21(14-23(18)19)11-15-5-3-9-24-15/h1-2,7-8,15-16H,3-6,9-14H2/t15-,16-/m0/s1.
What are the key properties of 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole?
1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole has a molecular weight of 342.44 g/mol, XLogP of 2.43, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis[[(2S)-oxolan-2-yl]methyl]-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazole is sourced from PubChem (CID 97182663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).