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

C15H20N4O2 — CID 29139236

IUPAC2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCOCCCN1CCn2c(nc3cc(C(N)=O)ccc32)C1
InChIInChI=1S/C15H20N4O2/c1-21-8-2-5-18-6-7-19-13-4-3-11(15(16)20)9-12(13)17-14(19)10-18/h3-4,9H,2,5-8,10H2,1H3,(H2,16,20)
InChIKeyVBCBCVRIVGRVIY-UHFFFAOYSA-N
MW288.35 g/mol
LogP0.99
Rot. Bonds5

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

2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 29139236) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID29139236
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCOCCCN1CCn2c(nc3cc(C(N)=O)ccc32)C1
InChIInChI=1S/C15H20N4O2/c1-21-8-2-5-18-6-7-19-13-4-3-11(15(16)20)9-12(13)17-14(19)10-18/h3-4,9H,2,5-8,10H2,1H3,(H2,16,20)
InChIKeyVBCBCVRIVGRVIY-UHFFFAOYSA-N
XLogP0.99
TPSA73.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide (CID 29139236) is 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide is COCCCN1CCn2c(nc3cc(C(N)=O)ccc32)C1.
What is the InChIKey of 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is VBCBCVRIVGRVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-21-8-2-5-18-6-7-19-13-4-3-11(15(16)20)9-12(13)17-14(19)10-18/h3-4,9H,2,5-8,10H2,1H3,(H2,16,20).
What are the key properties of 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxypropyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 29139236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).