2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

C21H28N4O3 — CID 71842610

IUPAC2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O
InChIInChI=1S/C21H28N4O3/c1-28-13-5-10-22-20(26)15-8-9-18-17(14-15)23-19-21(27)24(11-12-25(18)19)16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,22,26)
InChIKeyWJWWMRXSGBCXLQ-UHFFFAOYSA-N
MW384.48 g/mol
LogP2.59
Rot. Bonds6

About 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide

2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (PubChem CID 71842610) has the molecular formula C21H28N4O3 and a molecular weight of 384.48 g/mol. Its IUPAC name is 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.

Molecular Properties

Compound Name2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
PubChem CID71842610
Molecular FormulaC21H28N4O3
Molecular Weight384.48 g/mol
Exact Mass384.22
IUPAC Name2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide
SMILESCOCCCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O
InChIInChI=1S/C21H28N4O3/c1-28-13-5-10-22-20(26)15-8-9-18-17(14-15)23-19-21(27)24(11-12-25(18)19)16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,22,26)
InChIKeyWJWWMRXSGBCXLQ-UHFFFAOYSA-N
XLogP2.59
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 52.59
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-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The IUPAC name of 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide (CID 71842610) is 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide.
What is the SMILES notation for 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The canonical SMILES for 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is COCCCNC(=O)c1ccc2c(c1)nc1n2CCN(C2CCCCC2)C1=O.
What is the InChIKey of 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
The InChIKey is WJWWMRXSGBCXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O3/c1-28-13-5-10-22-20(26)15-8-9-18-17(14-15)23-19-21(27)24(11-12-25(18)19)16-6-3-2-4-7-16/h8-9,14,16H,2-7,10-13H2,1H3,(H,22,26).
What are the key properties of 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide?
2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide has a molecular weight of 384.48 g/mol, XLogP of 2.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclohexyl-N-(3-methoxypropyl)-1-oxo-3,4-dihydropyrazino[1,2-a]benzimidazole-8-carboxamide is sourced from PubChem (CID 71842610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).