5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide

C110H103N21O10S4 — CID 158777715

About 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide

5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide (PubChem CID 158777715) has the molecular formula C110H103N21O10S4 and a molecular weight of 2007.44 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide
• PubChem CID: 158777715
• Molecular Formula: C110H103N21O10S4
• Molecular Weight: 2007.44 g/mol
• Exact Mass: 2005.71
• IUPAC Name: 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide
• SMILES: C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccccn5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4ccc(CO)cc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccnc6c5C=NC6)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cncc(C)n5)s4)nc4ccccc43)C2)C1
• InChI: InChI=1S/C29H26N6O2S.C27H26N6O2S.C27H25N5O2S.C27H26N4O4S/c1-2-26(36)34-12-10-29(17-34)13-18(14-29)35-23-6-4-3-5-21(23)32-28(35)33-27(37)25-8-7-24(38-25)19-9-11-31-22-16-30-15-20(19)22;1-3-24(34)32-11-10-27(16-32)12-18(13-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-15-28-14-17(2)29-20;1-2-24(33)31-14-12-27(17-31)15-18(16-27)32-21-9-4-3-7-19(21)29-26(32)30-25(34)23-11-10-22(35-23)20-8-5-6-13-28-20;1-2-24(33)30-10-9-27(16-30)13-18(14-27)31-20-12-17(15-32)5-6-19(20)28-26(31)29-25(34)23-8-7-22(36-23)21-4-3-11-35-21/h2-9,11,15,18H,1,10,12-14,16-17H2,(H,32,33,37);3-9,14-15,18H,1,10-13,16H2,2H3,(H,30,31,35);2-11,13,18H,1,12,14-17H2,(H,29,30,34);2-8,11-12,18,32H,1,9-10,13-16H2,(H,28,29,34)
• InChIKey: IQRIDVGNAKVEPK-UHFFFAOYSA-N
• XLogP: 19.93
• TPSA: 366.21 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 27
• Rotatable Bonds: 21
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2007.44
LogP ≤ 5	19.93
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide?

The IUPAC name of 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide (CID 158777715) is 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide.

What is the SMILES notation for 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide?

The canonical SMILES for 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccccn5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4ccc(CO)cc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccnc6c5C=NC6)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cncc(C)n5)s4)nc4ccccc43)C2)C1.

What is the InChIKey of 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide?

The InChIKey is IQRIDVGNAKVEPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N6O2S.C27H26N6O2S.C27H25N5O2S.C27H26N4O4S/c1-2-26(36)34-12-10-29(17-34)13-18(14-29)35-23-6-4-3-5-21(23)32-28(35)33-27(37)25-8-7-24(38-25)19-9-11-31-22-16-30-15-20(19)22;1-3-24(34)32-11-10-27(16-32)12-18(13-27)33-21-7-5-4-6-19(21)30-26(33)31-25(35)23-9-8-22(36-23)20-15-28-14-17(2)29-20;1-2-24(33)31-14-12-27(17-31)15-18(16-27)32-21-9-4-3-7-19(21)29-26(32)30-25(34)23-11-10-22(35-23)20-8-5-6-13-28-20;1-2-24(33)30-10-9-27(16-30)13-18(14-27)31-20-12-17(15-32)5-6-19(20)28-26(31)29-25(34)23-8-7-22(36-23)21-4-3-11-35-21/h2-9,11,15,18H,1,10,12-14,16-17H2,(H,32,33,37);3-9,14-15,18H,1,10-13,16H2,2H3,(H,30,31,35);2-11,13,18H,1,12,14-17H2,(H,29,30,34);2-8,11-12,18,32H,1,9-10,13-16H2,(H,28,29,34).

What are the key properties of 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide?

5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide has a molecular weight of 2007.44 g/mol, XLogP of 19.93, 21 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[6-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-(6-methylpyrazin-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyridin-2-ylthiophene-2-carboxamide;N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(7H-pyrrolo[3,4-b]pyridin-4-yl)thiophene-2-carboxamide is sourced from PubChem (CID 158777715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).