5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide

C110H110FN17O11S3 — CID 158226338

About 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide

5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide (PubChem CID 158226338) has the molecular formula C110H110FN17O11S3 and a molecular weight of 1961.40 g/mol. Its IUPAC name is 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide
• PubChem CID: 158226338
• Molecular Formula: C110H110FN17O11S3
• Molecular Weight: 1961.40 g/mol
• Exact Mass: 1959.77
• IUPAC Name: 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide
• SMILES: C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5c[nH]cc5C5CC5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(CC)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(C)(F)CO)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4cccc(-c5ccco5)c4)nc4ccccc43)C2)C1
• InChI: InChI=1S/C29H29N5O2S.C28H28N4O3S.C28H26N4O3.C25H27FN4O3S/c1-2-26(35)33-12-11-29(17-33)13-19(14-29)34-23-6-4-3-5-22(23)31-28(34)32-27(36)25-10-9-24(37-25)21-16-30-15-20(21)18-7-8-18;1-3-18-7-8-21-20(14-18)29-27(30-26(34)24-10-9-23(36-24)22-6-5-13-35-22)32(21)19-15-28(16-19)11-12-31(17-28)25(33)4-2;1-2-25(33)31-13-12-28(18-31)16-21(17-28)32-23-10-4-3-9-22(23)29-27(32)30-26(34)20-8-5-7-19(15-20)24-11-6-14-35-24;1-3-21(32)29-11-10-25(14-29)12-16(13-25)30-18-7-5-4-6-17(18)27-23(30)28-22(33)19-8-9-20(34-19)24(2,26)15-31/h2-6,9-10,15-16,18-19,30H,1,7-8,11-14,17H2,(H,31,32,36);4-10,13-14,19H,2-3,11-12,15-17H2,1H3,(H,29,30,34);2-11,14-15,21H,1,12-13,16-18H2,(H,29,30,34);3-9,16,31H,1,10-15H2,2H3,(H,27,28,33)
• InChIKey: GDVPECSSMKWVGL-UHFFFAOYSA-N
• XLogP: 21.43
• TPSA: 331.22 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 22
• Rotatable Bonds: 23
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1961.40
LogP ≤ 5	21.43
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide?

The IUPAC name of 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide (CID 158226338) is 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide.

What is the SMILES notation for 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide?

The canonical SMILES for 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5c[nH]cc5C5CC5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(CC)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(C)(F)CO)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4cccc(-c5ccco5)c4)nc4ccccc43)C2)C1.

What is the InChIKey of 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide?

The InChIKey is GDVPECSSMKWVGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N5O2S.C28H28N4O3S.C28H26N4O3.C25H27FN4O3S/c1-2-26(35)33-12-11-29(17-33)13-19(14-29)34-23-6-4-3-5-22(23)31-28(34)32-27(36)25-10-9-24(37-25)21-16-30-15-20(21)18-7-8-18;1-3-18-7-8-21-20(14-18)29-27(30-26(34)24-10-9-23(36-24)22-6-5-13-35-22)32(21)19-15-28(16-19)11-12-31(17-28)25(33)4-2;1-2-25(33)31-13-12-28(18-31)16-21(17-28)32-23-10-4-3-9-22(23)29-27(32)30-26(34)20-8-5-7-19(15-20)24-11-6-14-35-24;1-3-21(32)29-11-10-25(14-29)12-16(13-25)30-18-7-5-4-6-17(18)27-23(30)28-22(33)19-8-9-20(34-19)24(2,26)15-31/h2-6,9-10,15-16,18-19,30H,1,7-8,11-14,17H2,(H,31,32,36);4-10,13-14,19H,2-3,11-12,15-17H2,1H3,(H,29,30,34);2-11,14-15,21H,1,12-13,16-18H2,(H,29,30,34);3-9,16,31H,1,10-15H2,2H3,(H,27,28,33).

What are the key properties of 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide?

5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide has a molecular weight of 1961.40 g/mol, XLogP of 21.43, 23 rotatable bonds, 6 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-cyclopropyl-1H-pyrrol-3-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-ethyl-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(2-fluoro-1-hydroxypropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;3-(furan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]benzamide is sourced from PubChem (CID 158226338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).