2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide

C20H28N4O — CID 138579359

IUPAC2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCCCCC2)C1
InChIInChI=1S/C20H28N4O/c21-20(25)15-9-10-18-17(13-15)22-19-14-23(11-12-24(18)19)16-7-5-3-1-2-4-6-8-16/h9-10,13,16H,1-8,11-12,14H2,(H2,21,25)
InChIKeyJEELJBZOBWQYSR-UHFFFAOYSA-N
MW340.47 g/mol
LogP3.45
Rot. Bonds2

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

2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 138579359) has the molecular formula C20H28N4O and a molecular weight of 340.47 g/mol. Its IUPAC name is 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID138579359
Molecular FormulaC20H28N4O
Molecular Weight340.47 g/mol
Exact Mass340.23
IUPAC Name2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCCCCC2)C1
InChIInChI=1S/C20H28N4O/c21-20(25)15-9-10-18-17(13-15)22-19-14-23(11-12-24(18)19)16-7-5-3-1-2-4-6-8-16/h9-10,13,16H,1-8,11-12,14H2,(H2,21,25)
InChIKeyJEELJBZOBWQYSR-UHFFFAOYSA-N
XLogP3.45
TPSA64.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.47
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide (CID 138579359) is 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide is NC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCCCCC2)C1.
What is the InChIKey of 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is JEELJBZOBWQYSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O/c21-20(25)15-9-10-18-17(13-15)22-19-14-23(11-12-24(18)19)16-7-5-3-1-2-4-6-8-16/h9-10,13,16H,1-8,11-12,14H2,(H2,21,25).
What are the key properties of 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide?
2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 340.47 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclononyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 138579359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).