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

C21H24N4O3 — CID 665981

IUPAC4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide
SMILESCOCCN1CCn2c(nc3cc(NC(=O)c4ccc(OC)cc4)ccc32)C1
InChIInChI=1S/C21H24N4O3/c1-27-12-11-24-9-10-25-19-8-5-16(13-18(19)23-20(25)14-24)22-21(26)15-3-6-17(28-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyXBVRGODRZFHYLL-UHFFFAOYSA-N
MW380.45 g/mol
LogP2.76
Rot. Bonds6

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

4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide (PubChem CID 665981) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide
PubChem CID665981
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC Name4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide
SMILESCOCCN1CCn2c(nc3cc(NC(=O)c4ccc(OC)cc4)ccc32)C1
InChIInChI=1S/C21H24N4O3/c1-27-12-11-24-9-10-25-19-8-5-16(13-18(19)23-20(25)14-24)22-21(26)15-3-6-17(28-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,26)
InChIKeyXBVRGODRZFHYLL-UHFFFAOYSA-N
XLogP2.76
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
The IUPAC name of 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide (CID 665981) is 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide is COCCN1CCn2c(nc3cc(NC(=O)c4ccc(OC)cc4)ccc32)C1.
What is the InChIKey of 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
The InChIKey is XBVRGODRZFHYLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-27-12-11-24-9-10-25-19-8-5-16(13-18(19)23-20(25)14-24)22-21(26)15-3-6-17(28-2)7-4-15/h3-8,13H,9-12,14H2,1-2H3,(H,22,26).
What are the key properties of 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide?
4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide has a molecular weight of 380.45 g/mol, XLogP of 2.76, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-(2-methoxyethyl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-yl]benzamide is sourced from PubChem (CID 665981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).