N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide

C26H23N5OS — CID 134277615

About N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide

N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide (PubChem CID 134277615) has the molecular formula C26H23N5OS and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide
• PubChem CID: 134277615
• Molecular Formula: C26H23N5OS
• Molecular Weight: 453.57 g/mol
• Exact Mass: 453.16
• IUPAC Name: N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide
• SMILES: N#Cc1ccc(-c2ccc(C(=O)Nc3nc4ccccc4n3C3CC4(CCNC4)C3)s2)cc1
• InChI: InChI=1S/C26H23N5OS/c27-15-17-5-7-18(8-6-17)22-9-10-23(33-22)24(32)30-25-29-20-3-1-2-4-21(20)31(25)19-13-26(14-19)11-12-28-16-26/h1-10,19,28H,11-14,16H2,(H,29,30,32)
• InChIKey: MYBCYLCAOIREBQ-UHFFFAOYSA-N
• XLogP: 5.20
• TPSA: 82.74 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	453.57
LogP ≤ 5	5.20
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide?

The IUPAC name of N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide (CID 134277615) is N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide.

What is the SMILES notation for N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide?

The canonical SMILES for N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide is N#Cc1ccc(-c2ccc(C(=O)Nc3nc4ccccc4n3C3CC4(CCNC4)C3)s2)cc1.

What is the InChIKey of N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide?

The InChIKey is MYBCYLCAOIREBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N5OS/c27-15-17-5-7-18(8-6-17)22-9-10-23(33-22)24(32)30-25-29-20-3-1-2-4-21(20)31(25)19-13-26(14-19)11-12-28-16-26/h1-10,19,28H,11-14,16H2,(H,29,30,32).

What are the key properties of N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide?

N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide has a molecular weight of 453.57 g/mol, XLogP of 5.20, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-(4-cyanophenyl)thiophene-2-carboxamide is sourced from PubChem (CID 134277615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).