benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine

C103H109N35O4 — CID 158384923

About benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine

benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine (PubChem CID 158384923) has the molecular formula C103H109N35O4 and a molecular weight of 1901.25 g/mol. Its IUPAC name is benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine.

Molecular Properties

• Compound Name: benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine
• PubChem CID: 158384923
• Molecular Formula: C103H109N35O4
• Molecular Weight: 1901.25 g/mol
• Exact Mass: 1899.94
• IUPAC Name: benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine
• SMILES: CC(C)(C)OC(=O)N1CCn2c1nc1cc(N)ccc12.CC1CCc2nc3cc(N)ccc3n21.CN1CCn2c(nc3cc(N)ccc32)C1.CN1CCn2c1nc1cc(N)ccc12.Nc1ccc2c(c1)nc1cnccn12.Nc1ccc2c(c1)nc1n2CCN(C(=O)OCc2ccccc2)C1.Nc1ccc2c(c1)nc1n2CCN1.Nc1ccc2c(c1)nc1ncccn12.Nc1ccc2nc3ncccn3c2c1
• InChI: InChI=1S/C18H18N4O2.C14H18N4O2.C11H14N4.C11H13N3.C10H12N4.3C10H8N4.C9H10N4/c19-14-6-7-16-15(10-14)20-17-11-21(8-9-22(16)17)18(23)24-12-13-4-2-1-3-5-13;1-14(2,3)20-13(19)18-7-6-17-11-5-4-9(15)8-10(11)16-12(17)18;1-14-4-5-15-10-3-2-8(12)6-9(10)13-11(15)7-14;1-7-2-5-11-13-9-6-8(12)3-4-10(9)14(7)11;1-13-4-5-14-9-3-2-7(11)6-8(9)12-10(13)14;11-7-2-3-9-8(6-7)13-10-12-4-1-5-14(9)10;11-7-2-3-8-9(6-7)14-5-1-4-12-10(14)13-8;11-7-1-2-9-8(5-7)13-10-6-12-3-4-14(9)10;10-6-1-2-8-7(5-6)12-9-11-3-4-13(8)9/h1-7,10H,8-9,11-12,19H2;4-5,8H,6-7,15H2,1-3H3;2-3,6H,4-5,7,12H2,1H3;3-4,6-7H,2,5,12H2,1H3;2-3,6H,4-5,11H2,1H3;3*1-6H,11H2;1-2,5H,3-4,10H2,(H,11,12)
• InChIKey: GWGGJYMDWCQJNO-UHFFFAOYSA-N
• XLogP: 14.84
• TPSA: 509.26 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 37
• Rotatable Bonds: 2
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1901.25
LogP ≤ 5	14.84
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	37

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aniline', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine?

The IUPAC name of benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine (CID 158384923) is benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine.

What is the SMILES notation for benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine?

The canonical SMILES for benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine is CC(C)(C)OC(=O)N1CCn2c1nc1cc(N)ccc12.CC1CCc2nc3cc(N)ccc3n21.CN1CCn2c(nc3cc(N)ccc32)C1.CN1CCn2c1nc1cc(N)ccc12.Nc1ccc2c(c1)nc1cnccn12.Nc1ccc2c(c1)nc1n2CCN(C(=O)OCc2ccccc2)C1.Nc1ccc2c(c1)nc1n2CCN1.Nc1ccc2c(c1)nc1ncccn12.Nc1ccc2nc3ncccn3c2c1.

What is the InChIKey of benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine?

The InChIKey is GWGGJYMDWCQJNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O2.C14H18N4O2.C11H14N4.C11H13N3.C10H12N4.3C10H8N4.C9H10N4/c19-14-6-7-16-15(10-14)20-17-11-21(8-9-22(16)17)18(23)24-12-13-4-2-1-3-5-13;1-14(2,3)20-13(19)18-7-6-17-11-5-4-9(15)8-10(11)16-12(17)18;1-14-4-5-15-10-3-2-8(12)6-9(10)13-11(15)7-14;1-7-2-5-11-13-9-6-8(12)3-4-10(9)14(7)11;1-13-4-5-14-9-3-2-7(11)6-8(9)12-10(13)14;11-7-2-3-9-8(6-7)13-10-12-4-1-5-14(9)10;11-7-2-3-8-9(6-7)14-5-1-4-12-10(14)13-8;11-7-1-2-9-8(5-7)13-10-6-12-3-4-14(9)10;10-6-1-2-8-7(5-6)12-9-11-3-4-13(8)9/h1-7,10H,8-9,11-12,19H2;4-5,8H,6-7,15H2,1-3H3;2-3,6H,4-5,7,12H2,1H3;3-4,6-7H,2,5,12H2,1H3;2-3,6H,4-5,11H2,1H3;3*1-6H,11H2;1-2,5H,3-4,10H2,(H,11,12).

What are the key properties of benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine?

benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine has a molecular weight of 1901.25 g/mol, XLogP of 14.84, 2 rotatable bonds, 10 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl 8-amino-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazole-2-carboxylate;tert-butyl 6-amino-1,2-dihydroimidazo[1,2-a]benzimidazole-3-carboxylate;2,3-dihydro-1H-imidazo[1,2-a]benzimidazol-6-amine;3-methyl-1,2-dihydroimidazo[1,2-a]benzimidazol-6-amine;2-methyl-3,4-dihydro-1H-pyrazino[1,2-a]benzimidazol-8-amine;1-methyl-2,3-dihydro-1H-pyrrolo[1,2-a]benzimidazol-6-amine;pyrazino[1,2-a]benzimidazol-8-amine;pyrimido[1,2-a]benzimidazol-7-amine;pyrimido[1,2-a]benzimidazol-8-amine is sourced from PubChem (CID 158384923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).