5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide

C110H108FN17O11S4 — CID 158480803

About 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide

5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide (PubChem CID 158480803) has the molecular formula C110H108FN17O11S4 and a molecular weight of 1991.45 g/mol. Its IUPAC name is 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide.

Molecular Properties

• Compound Name: 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
• PubChem CID: 158480803
• Molecular Formula: C110H108FN17O11S4
• Molecular Weight: 1991.45 g/mol
• Exact Mass: 1989.73
• IUPAC Name: 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide
• SMILES: C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccccc5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccn(C)c(=O)c5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(C)(C)F)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C5=CC(=O)CC=C5)s4)nc4cc(CO)ccc43)C2)C1
• InChI: InChI=1S/C29H28N4O4S.C28H27N5O3S.C28H26N4O2S.C25H27FN4O2S/c1-2-26(36)32-11-10-29(17-32)14-20(15-29)33-23-7-6-18(16-34)12-22(23)30-28(33)31-27(37)25-9-8-24(38-25)19-4-3-5-21(35)13-19;1-3-24(34)32-13-11-28(17-32)15-19(16-28)33-21-7-5-4-6-20(21)29-27(33)30-26(36)23-9-8-22(37-23)18-10-12-31(2)25(35)14-18;1-2-25(33)31-15-14-28(18-31)16-20(17-28)32-22-11-7-6-10-21(22)29-27(32)30-26(34)24-13-12-23(35-24)19-8-4-3-5-9-19;1-4-21(31)29-12-11-25(15-29)13-16(14-25)30-18-8-6-5-7-17(18)27-23(30)28-22(32)19-9-10-20(33-19)24(2,3)26/h2-4,6-9,12-13,20,34H,1,5,10-11,14-17H2,(H,30,31,37);3-10,12,14,19H,1,11,13,15-17H2,2H3,(H,29,30,36);2-13,20H,1,14-18H2,(H,29,30,34);4-10,16H,1,11-15H2,2-3H3,(H,27,28,32)
• InChIKey: HHMPTRNXRFSSRU-UHFFFAOYSA-N
• XLogP: 20.00
• TPSA: 328.22 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 24
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1991.45
LogP ≤ 5	20.00
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?

The IUPAC name of 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide (CID 158480803) is 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide.

What is the SMILES notation for 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?

The canonical SMILES for 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccccc5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccn(C)c(=O)c5)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C(C)(C)F)s4)nc4ccccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(C5=CC(=O)CC=C5)s4)nc4cc(CO)ccc43)C2)C1.

What is the InChIKey of 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?

The InChIKey is HHMPTRNXRFSSRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H28N4O4S.C28H27N5O3S.C28H26N4O2S.C25H27FN4O2S/c1-2-26(36)32-11-10-29(17-32)14-20(15-29)33-23-7-6-18(16-34)12-22(23)30-28(33)31-27(37)25-9-8-24(38-25)19-4-3-5-21(35)13-19;1-3-24(34)32-13-11-28(17-32)15-19(16-28)33-21-7-5-4-6-20(21)29-27(33)30-26(36)23-9-8-22(37-23)18-10-12-31(2)25(35)14-18;1-2-25(33)31-15-14-28(18-31)16-20(17-28)32-22-11-7-6-10-21(22)29-27(32)30-26(34)24-13-12-23(35-24)19-8-4-3-5-9-19;1-4-21(31)29-12-11-25(15-29)13-16(14-25)30-18-8-6-5-7-17(18)27-23(30)28-22(32)19-9-10-20(33-19)24(2,3)26/h2-4,6-9,12-13,20,34H,1,5,10-11,14-17H2,(H,30,31,37);3-10,12,14,19H,1,11,13,15-17H2,2H3,(H,29,30,36);2-13,20H,1,14-18H2,(H,29,30,34);4-10,16H,1,11-15H2,2-3H3,(H,27,28,32).

What are the key properties of 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide?

5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide has a molecular weight of 1991.45 g/mol, XLogP of 20.00, 21 rotatable bonds, 5 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(2-fluoropropan-2-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(hydroxymethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(3-oxocyclohexa-1,5-dien-1-yl)thiophene-2-carboxamide;5-(1-methyl-2-oxo-4-pyridinyl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;5-phenyl-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide is sourced from PubChem (CID 158480803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).