6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

C21H18N6O2 — CID 59473230

IUPAC6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(Nc2nc(-c3ccc4nc[nH]c4c3)cn3ccnc23)cc1OC
InChIInChI=1S/C21H18N6O2/c1-28-18-6-4-14(10-19(18)29-2)25-20-21-22-7-8-27(21)11-17(26-20)13-3-5-15-16(9-13)24-12-23-15/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyJONYLZGYUFMCHI-UHFFFAOYSA-N
MW386.42 g/mol
LogP4.03
Rot. Bonds5

About 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine

6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (PubChem CID 59473230) has the molecular formula C21H18N6O2 and a molecular weight of 386.42 g/mol. Its IUPAC name is 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.

Molecular Properties

Compound Name6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
PubChem CID59473230
Molecular FormulaC21H18N6O2
Molecular Weight386.42 g/mol
Exact Mass386.15
IUPAC Name6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
SMILESCOc1ccc(Nc2nc(-c3ccc4nc[nH]c4c3)cn3ccnc23)cc1OC
InChIInChI=1S/C21H18N6O2/c1-28-18-6-4-14(10-19(18)29-2)25-20-21-22-7-8-27(21)11-17(26-20)13-3-5-15-16(9-13)24-12-23-15/h3-12H,1-2H3,(H,23,24)(H,25,26)
InChIKeyJONYLZGYUFMCHI-UHFFFAOYSA-N
XLogP4.03
TPSA89.36 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.42
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The IUPAC name of 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine (CID 59473230) is 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine.
What is the SMILES notation for 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The canonical SMILES for 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is COc1ccc(Nc2nc(-c3ccc4nc[nH]c4c3)cn3ccnc23)cc1OC.
What is the InChIKey of 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
The InChIKey is JONYLZGYUFMCHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O2/c1-28-18-6-4-14(10-19(18)29-2)25-20-21-22-7-8-27(21)11-17(26-20)13-3-5-15-16(9-13)24-12-23-15/h3-12H,1-2H3,(H,23,24)(H,25,26).
What are the key properties of 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine?
6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine has a molecular weight of 386.42 g/mol, XLogP of 4.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3H-benzimidazol-5-yl)-N-(3,4-dimethoxyphenyl)imidazo[1,2-a]pyrazin-8-amine is sourced from PubChem (CID 59473230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).