2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride

C22H25ClN6O — CID 16682444

IUPAC2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride
SMILESCOCCN1CCn2c(nc3cc(Nc4nnc(C)c5ccccc45)ccc32)C1.Cl
InChIInChI=1S/C22H24N6O.ClH/c1-15-17-5-3-4-6-18(17)22(26-25-15)23-16-7-8-20-19(13-16)24-21-14-27(11-12-29-2)9-10-28(20)21;/h3-8,13H,9-12,14H2,1-2H3,(H,23,26);1H
InChIKeyBHGRPRLBPLPIGY-UHFFFAOYSA-N
MW424.94 g/mol
LogP3.92
Rot. Bonds5

About 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride

2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride (PubChem CID 16682444) has the molecular formula C22H25ClN6O and a molecular weight of 424.94 g/mol. Its IUPAC name is 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride.

Molecular Properties

Compound Name2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride
PubChem CID16682444
Molecular FormulaC22H25ClN6O
Molecular Weight424.94 g/mol
Exact Mass424.18
IUPAC Name2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride
SMILESCOCCN1CCn2c(nc3cc(Nc4nnc(C)c5ccccc45)ccc32)C1.Cl
InChIInChI=1S/C22H24N6O.ClH/c1-15-17-5-3-4-6-18(17)22(26-25-15)23-16-7-8-20-19(13-16)24-21-14-27(11-12-29-2)9-10-28(20)21;/h3-8,13H,9-12,14H2,1-2H3,(H,23,26);1H
InChIKeyBHGRPRLBPLPIGY-UHFFFAOYSA-N
XLogP3.92
TPSA68.10 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.94
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride?
The IUPAC name of 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride (CID 16682444) is 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride.
What is the SMILES notation for 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride?
The canonical SMILES for 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride is COCCN1CCn2c(nc3cc(Nc4nnc(C)c5ccccc45)ccc32)C1.Cl.
What is the InChIKey of 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride?
The InChIKey is BHGRPRLBPLPIGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O.ClH/c1-15-17-5-3-4-6-18(17)22(26-25-15)23-16-7-8-20-19(13-16)24-21-14-27(11-12-29-2)9-10-28(20)21;/h3-8,13H,9-12,14H2,1-2H3,(H,23,26);1H.
What are the key properties of 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride?
2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride has a molecular weight of 424.94 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxyethyl)-N-(4-methylphthalazin-1-yl)-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;hydrochloride is sourced from PubChem (CID 16682444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).