N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide

C16H22N4O2 — CID 4894358

IUPACN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc1n2CCN(CCOC)C1
InChIInChI=1S/C16H22N4O2/c1-3-16(21)17-12-4-5-14-13(10-12)18-15-11-19(8-9-22-2)6-7-20(14)15/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,21)
InChIKeyZDIIUZBOSXTPGP-UHFFFAOYSA-N
MW302.38 g/mol
LogP1.85
Rot. Bonds5

About N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide

N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide (PubChem CID 4894358) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide.

Molecular Properties

Compound NameN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide
PubChem CID4894358
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide
SMILESCCC(=O)Nc1ccc2c(c1)nc1n2CCN(CCOC)C1
InChIInChI=1S/C16H22N4O2/c1-3-16(21)17-12-4-5-14-13(10-12)18-15-11-19(8-9-22-2)6-7-20(14)15/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,21)
InChIKeyZDIIUZBOSXTPGP-UHFFFAOYSA-N
XLogP1.85
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide?
The IUPAC name of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide (CID 4894358) is N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide.
What is the SMILES notation for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide?
The canonical SMILES for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide is CCC(=O)Nc1ccc2c(c1)nc1n2CCN(CCOC)C1.
What is the InChIKey of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide?
The InChIKey is ZDIIUZBOSXTPGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-3-16(21)17-12-4-5-14-13(10-12)18-15-11-19(8-9-22-2)6-7-20(14)15/h4-5,10H,3,6-9,11H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide?
N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide has a molecular weight of 302.38 g/mol, XLogP of 1.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]propanamide is sourced from PubChem (CID 4894358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).