2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide

C16H20N4O2 — CID 42651710

IUPAC2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc1n2CCN(CC2CCCO2)C1
InChIInChI=1S/C16H20N4O2/c17-16(21)11-3-4-14-13(8-11)18-15-10-19(5-6-20(14)15)9-12-2-1-7-22-12/h3-4,8,12H,1-2,5-7,9-10H2,(H2,17,21)
InChIKeyUZSXKRBCERMROG-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.13
Rot. Bonds3

About 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide

2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 42651710) has the molecular formula C16H20N4O2 and a molecular weight of 300.36 g/mol. Its IUPAC name is 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID42651710
Molecular FormulaC16H20N4O2
Molecular Weight300.36 g/mol
Exact Mass300.16
IUPAC Name2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc1n2CCN(CC2CCCO2)C1
InChIInChI=1S/C16H20N4O2/c17-16(21)11-3-4-14-13(8-11)18-15-10-19(5-6-20(14)15)9-12-2-1-7-22-12/h3-4,8,12H,1-2,5-7,9-10H2,(H2,17,21)
InChIKeyUZSXKRBCERMROG-UHFFFAOYSA-N
XLogP1.13
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide (CID 42651710) is 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide is NC(=O)c1ccc2c(c1)nc1n2CCN(CC2CCCO2)C1.
What is the InChIKey of 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is UZSXKRBCERMROG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O2/c17-16(21)11-3-4-14-13(8-11)18-15-10-19(5-6-20(14)15)9-12-2-1-7-22-12/h3-4,8,12H,1-2,5-7,9-10H2,(H2,17,21).
What are the key properties of 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.13, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-ylmethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 42651710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).