N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide

C110H99Cl2F2N17O12S4 — CID 157256149

About N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide

N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide (PubChem CID 157256149) has the molecular formula C110H99Cl2F2N17O12S4 and a molecular weight of 2088.28 g/mol. Its IUPAC name is N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
• PubChem CID: 157256149
• Molecular Formula: C110H99Cl2F2N17O12S4
• Molecular Weight: 2088.28 g/mol
• Exact Mass: 2085.59
• IUPAC Name: N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide
• SMILES: C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4c(Cl)cccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(C(F)(F)CO)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(Cl)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cncc6c5C=CC6)s4)nc4ccccc43)C2)C1
• InChI: InChI=1S/C30H27N5O2S.C28H26F2N4O4S.2C26H23ClN4O3S/c1-2-27(36)34-13-12-30(18-34)14-20(15-30)35-24-9-4-3-8-23(24)32-29(35)33-28(37)26-11-10-25(38-26)22-17-31-16-19-6-5-7-21(19)22;1-2-24(36)33-10-9-27(15-33)13-18(14-27)34-20-6-5-17(28(29,30)16-35)12-19(20)31-26(34)32-25(37)23-8-7-22(39-23)21-4-3-11-38-21;1-2-22(32)30-11-10-26(15-30)13-16(14-26)31-18-6-3-5-17(27)23(18)28-25(31)29-24(33)21-9-8-20(35-21)19-7-4-12-34-19;1-2-23(32)30-10-9-26(15-30)13-17(14-26)31-19-6-5-16(27)12-18(19)28-25(31)29-24(33)22-8-7-21(35-22)20-4-3-11-34-20/h2-5,7-11,16-17,20H,1,6,12-15,18H2,(H,32,33,37);2-8,11-12,18,35H,1,9-10,13-16H2,(H,31,32,37);2-9,12,16H,1,10-11,13-15H2,(H,28,29,33);2-8,11-12,17H,1,9-10,13-15H2,(H,28,29,33)
• InChIKey: AWXLRJQTZXYYRE-UHFFFAOYSA-N
• XLogP: 23.16
• TPSA: 341.46 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 25
• Rotatable Bonds: 22
• Heavy Atoms: 147
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2088.28
LogP ≤ 5	23.16
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 N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide?

The IUPAC name of N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide (CID 157256149) is N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide.

What is the SMILES notation for N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide?

The canonical SMILES for N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide is C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4c(Cl)cccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(C(F)(F)CO)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5ccco5)s4)nc4cc(Cl)ccc43)C2)C1.C=CC(=O)N1CCC2(CC(n3c(NC(=O)c4ccc(-c5cncc6c5C=CC6)s4)nc4ccccc43)C2)C1.

What is the InChIKey of N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide?

The InChIKey is AWXLRJQTZXYYRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27N5O2S.C28H26F2N4O4S.2C26H23ClN4O3S/c1-2-27(36)34-13-12-30(18-34)14-20(15-30)35-24-9-4-3-8-23(24)32-29(35)33-28(37)26-11-10-25(38-26)22-17-31-16-19-6-5-7-21(19)22;1-2-24(36)33-10-9-27(15-33)13-18(14-27)34-20-6-5-17(28(29,30)16-35)12-19(20)31-26(34)32-25(37)23-8-7-22(39-23)21-4-3-11-38-21;1-2-22(32)30-11-10-26(15-30)13-16(14-26)31-18-6-3-5-17(27)23(18)28-25(31)29-24(33)21-9-8-20(35-21)19-7-4-12-34-19;1-2-23(32)30-10-9-26(15-30)13-17(14-26)31-19-6-5-16(27)12-18(19)28-25(31)29-24(33)22-8-7-21(35-22)20-4-3-11-34-20/h2-5,7-11,16-17,20H,1,6,12-15,18H2,(H,32,33,37);2-8,11-12,18,35H,1,9-10,13-16H2,(H,31,32,37);2-9,12,16H,1,10-11,13-15H2,(H,28,29,33);2-8,11-12,17H,1,9-10,13-15H2,(H,28,29,33).

What are the key properties of N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide?

N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide has a molecular weight of 2088.28 g/mol, XLogP of 23.16, 22 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;N-[5-chloro-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide;5-(7H-cyclopenta[c]pyridin-4-yl)-N-[1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]thiophene-2-carboxamide;N-[5-(1,1-difluoro-2-hydroxyethyl)-1-(6-prop-2-enoyl-6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(furan-2-yl)thiophene-2-carboxamide is sourced from PubChem (CID 157256149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).