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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide

C107H111N17O12S4 — CID 157305361

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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (PubChem CID 157305361) has the molecular formula C107H111N17O12S4 and a molecular weight of 1955.44 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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
• PubChem CID: 157305361
• Molecular Formula: C107H111N17O12S4
• Molecular Weight: 1955.44 g/mol
• Exact Mass: 1953.75
• 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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
• SMILES: C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4cc(C)cs4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4cc5c(s4)CCCC5)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4ccc(CN5CCOCC5)cc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4ccc(CO)cc43)C2)C1
• InChI: InChI=1S/C31H33N5O4S.C27H26N4O4S.C26H28N4O2S.C23H24N4O2S/c1-2-28(37)35-10-9-31(20-35)17-22(18-31)36-24-16-21(19-34-11-14-39-15-12-34)5-6-23(24)32-30(36)33-29(38)27-8-7-26(41-27)25-4-3-13-40-25;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;1-2-23(31)29-12-11-26(16-29)14-18(15-26)30-20-9-5-4-8-19(20)27-25(30)28-24(32)22-13-17-7-3-6-10-21(17)33-22;1-3-20(28)26-9-8-23(14-26)11-16(12-23)27-18-7-5-4-6-17(18)24-22(27)25-21(29)19-10-15(2)13-30-19/h2-8,13,16,22H,1,9-12,14-15,17-20H2,(H,32,33,38);2-8,11-12,18,32H,1,9-10,13-16H2,(H,28,29,34);2,4-5,8-9,13,18H,1,3,6-7,10-12,14-16H2,(H,27,28,32);3-7,10,13,16H,1,8-9,11-12,14H2,2H3,(H,24,25,29)
• InChIKey: BCKAWCYYTBBOET-UHFFFAOYSA-N
• XLogP: 19.39
• TPSA: 327.90 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 21
• Heavy Atoms: 140
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1955.44
LogP ≤ 5	19.39
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	25

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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide (CID 157305361) 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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4cc(C)cs4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4cc5c(s4)CCCC5)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4ccc(CN5CCOCC5)cc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4ccc(CO)cc43)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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide?

The InChIKey is BCKAWCYYTBBOET-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H33N5O4S.C27H26N4O4S.C26H28N4O2S.C23H24N4O2S/c1-2-28(37)35-10-9-31(20-35)17-22(18-31)36-24-16-21(19-34-11-14-39-15-12-34)5-6-23(24)32-30(36)33-29(38)27-8-7-26(41-27)25-4-3-13-40-25;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;1-2-23(31)29-12-11-26(16-29)14-18(15-26)30-20-9-5-4-8-19(20)27-25(30)28-24(32)22-13-17-7-3-6-10-21(17)33-22;1-3-20(28)26-9-8-23(14-26)11-16(12-23)27-18-7-5-4-6-17(18)24-22(27)25-21(29)19-10-15(2)13-30-19/h2-8,13,16,22H,1,9-12,14-15,17-20H2,(H,32,33,38);2-8,11-12,18,32H,1,9-10,13-16H2,(H,28,29,34);2,4-5,8-9,13,18H,1,3,6-7,10-12,14-16H2,(H,27,28,32);3-7,10,13,16H,1,8-9,11-12,14H2,2H3,(H,24,25,29).

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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide has a molecular weight of 1955.44 g/mol, XLogP of 19.39, 21 rotatable bonds, 5 hydrogen bond donors, and 25 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-(furan-2-yl)-N-[6-(morpholin-4-ylmethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;4-methyl-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]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide is sourced from PubChem (CID 157305361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).