4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine

C22H27N5O — CID 8003412

IUPAC4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
SMILESc1ccc(CN2CN(CCN3CCOCC3)Cn3c2nc2ccccc23)cc1
InChIInChI=1S/C22H27N5O/c1-2-6-19(7-3-1)16-26-17-25(11-10-24-12-14-28-15-13-24)18-27-21-9-5-4-8-20(21)23-22(26)27/h1-9H,10-18H2
InChIKeyMYTVKXCUNCBDAU-UHFFFAOYSA-N
MW377.49 g/mol
LogP2.61
Rot. Bonds5

About 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine

4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine (PubChem CID 8003412) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
PubChem CID8003412
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine
SMILESc1ccc(CN2CN(CCN3CCOCC3)Cn3c2nc2ccccc23)cc1
InChIInChI=1S/C22H27N5O/c1-2-6-19(7-3-1)16-26-17-25(11-10-24-12-14-28-15-13-24)18-27-21-9-5-4-8-20(21)23-22(26)27/h1-9H,10-18H2
InChIKeyMYTVKXCUNCBDAU-UHFFFAOYSA-N
XLogP2.61
TPSA36.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine (CID 8003412) is 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine is c1ccc(CN2CN(CCN3CCOCC3)Cn3c2nc2ccccc23)cc1.
What is the InChIKey of 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine?
The InChIKey is MYTVKXCUNCBDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-2-6-19(7-3-1)16-26-17-25(11-10-24-12-14-28-15-13-24)18-27-21-9-5-4-8-20(21)23-22(26)27/h1-9H,10-18H2.
What are the key properties of 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine?
4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine has a molecular weight of 377.49 g/mol, XLogP of 2.61, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-benzyl-2,4-dihydro-[1,3,5]triazino[1,2-a]benzimidazol-3-yl)ethyl]morpholine is sourced from PubChem (CID 8003412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).