1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid

C116H122BBr4F3N32O6 — CID 160606607

About 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid

1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid (PubChem CID 160606607) has the molecular formula C116H122BBr4F3N32O6 and a molecular weight of 2447.89 g/mol. Its IUPAC name is 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid.

Molecular Properties

• Compound Name: 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid
• PubChem CID: 160606607
• Molecular Formula: C116H122BBr4F3N32O6
• Molecular Weight: 2447.89 g/mol
• Exact Mass: 2442.70
• IUPAC Name: 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid
• SMILES: C=C(C)c1cnc2c(Br)nc(Br)cn12.C=C(C)c1cnc2c(NCCn3cnc4ccccc43)nc(-c3cncc(F)c3)cn12.C=C(C)c1cnc2c(NCCn3cnc4ccccc43)nc(Br)cn12.CC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1ccc2ccccc21.CC(C)c1cnc2c(NCCn3cnc4ccccc43)nc(-c3cncc(F)c3)cn12.NCCn1cnc2ccccc21.OB(O)c1cncc(F)c1.c1ccc2[nH]cnc2c1
• InChI: InChI=1S/C23H22FN7.C23H20FN7.C18H17BrN6.C15H20N2O2.C9H7Br2N3.C9H11N3.C7H14BrNO2.C7H6N2.C5H5BFNO2/c2*1-15(2)21-12-27-23-22(26-7-8-30-14-28-18-5-3-4-6-20(18)30)29-19(13-31(21)23)16-9-17(24)11-25-10-16;1-12(2)15-9-21-18-17(23-16(19)10-25(15)18)20-7-8-24-11-22-13-5-3-4-6-14(13)24;1-15(2,3)19-14(18)16-9-11-17-10-8-12-6-4-5-7-13(12)17;1-5(2)6-3-12-9-8(11)13-7(10)4-14(6)9;10-5-6-12-7-11-8-3-1-2-4-9(8)12;1-7(2,3)11-6(10)9-5-4-8;1-2-4-7-6(3-1)8-5-9-7;7-5-1-4(6(9)10)2-8-3-5/h3-6,9-15H,7-8H2,1-2H3,(H,26,29);3-6,9-14H,1,7-8H2,2H3,(H,26,29);3-6,9-11H,1,7-8H2,2H3,(H,20,23);4-8,10H,9,11H2,1-3H3,(H,16,18);3-4H,1H2,2H3;1-4,7H,5-6,10H2;4-5H2,1-3H3,(H,9,10);1-5H,(H,8,9);1-3,9-10H
• InChIKey: REYKMXIBFLYMGV-UHFFFAOYSA-N
• XLogP: 22.75
• TPSA: 443.55 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 35
• Rotatable Bonds: 26
• Heavy Atoms: 162
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2447.89
LogP ≤ 5	22.75
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid?

The IUPAC name of 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid (CID 160606607) is 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid.

What is the SMILES notation for 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid?

The canonical SMILES for 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid is C=C(C)c1cnc2c(Br)nc(Br)cn12.C=C(C)c1cnc2c(NCCn3cnc4ccccc43)nc(-c3cncc(F)c3)cn12.C=C(C)c1cnc2c(NCCn3cnc4ccccc43)nc(Br)cn12.CC(C)(C)OC(=O)NCCBr.CC(C)(C)OC(=O)NCCn1ccc2ccccc21.CC(C)c1cnc2c(NCCn3cnc4ccccc43)nc(-c3cncc(F)c3)cn12.NCCn1cnc2ccccc21.OB(O)c1cncc(F)c1.c1ccc2[nH]cnc2c1.

What is the InChIKey of 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid?

The InChIKey is REYKMXIBFLYMGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN7.C23H20FN7.C18H17BrN6.C15H20N2O2.C9H7Br2N3.C9H11N3.C7H14BrNO2.C7H6N2.C5H5BFNO2/c2*1-15(2)21-12-27-23-22(26-7-8-30-14-28-18-5-3-4-6-20(18)30)29-19(13-31(21)23)16-9-17(24)11-25-10-16;1-12(2)15-9-21-18-17(23-16(19)10-25(15)18)20-7-8-24-11-22-13-5-3-4-6-14(13)24;1-15(2,3)19-14(18)16-9-11-17-10-8-12-6-4-5-7-13(12)17;1-5(2)6-3-12-9-8(11)13-7(10)4-14(6)9;10-5-6-12-7-11-8-3-1-2-4-9(8)12;1-7(2,3)11-6(10)9-5-4-8;1-2-4-7-6(3-1)8-5-9-7;7-5-1-4(6(9)10)2-8-3-5/h3-6,9-15H,7-8H2,1-2H3,(H,26,29);3-6,9-14H,1,7-8H2,2H3,(H,26,29);3-6,9-11H,1,7-8H2,2H3,(H,20,23);4-8,10H,9,11H2,1-3H3,(H,16,18);3-4H,1H2,2H3;1-4,7H,5-6,10H2;4-5H2,1-3H3,(H,9,10);1-5H,(H,8,9);1-3,9-10H.

What are the key properties of 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid?

1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid has a molecular weight of 2447.89 g/mol, XLogP of 22.75, 26 rotatable bonds, 9 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 1H-benzimidazole;2-(benzimidazol-1-yl)ethanamine;N-[2-(benzimidazol-1-yl)ethyl]-6-bromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-propan-2-ylimidazo[1,2-a]pyrazin-8-amine;N-[2-(benzimidazol-1-yl)ethyl]-6-(5-fluoro-3-pyridinyl)-3-prop-1-en-2-ylimidazo[1,2-a]pyrazin-8-amine;tert-butyl N-(2-bromoethyl)carbamate;tert-butyl N-(2-indol-1-ylethyl)carbamate;6,8-dibromo-3-prop-1-en-2-ylimidazo[1,2-a]pyrazine;(5-fluoro-3-pyridinyl)boronic acid is sourced from PubChem (CID 160606607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).