N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide

C23H22N6OS — CID 134277655

About N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide

N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide (PubChem CID 134277655) has the molecular formula C23H22N6OS and a molecular weight of 430.54 g/mol. Its IUPAC name is N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide
• PubChem CID: 134277655
• Molecular Formula: C23H22N6OS
• Molecular Weight: 430.54 g/mol
• Exact Mass: 430.16
• IUPAC Name: N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide
• SMILES: O=C(Nc1nc2ccccc2n1C1CC2(CCNC2)C1)c1ccc(-c2cncnc2)s1
• InChI: InChI=1S/C23H22N6OS/c30-21(20-6-5-19(31-20)15-11-25-14-26-12-15)28-22-27-17-3-1-2-4-18(17)29(22)16-9-23(10-16)7-8-24-13-23/h1-6,11-12,14,16,24H,7-10,13H2,(H,27,28,30)
• InChIKey: AGFBMEHUHCVGRN-UHFFFAOYSA-N
• XLogP: 4.12
• TPSA: 84.73 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.54
LogP ≤ 5	4.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide (CID 134277655) is N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide.

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

The canonical SMILES for N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide is O=C(Nc1nc2ccccc2n1C1CC2(CCNC2)C1)c1ccc(-c2cncnc2)s1.

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

The InChIKey is AGFBMEHUHCVGRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6OS/c30-21(20-6-5-19(31-20)15-11-25-14-26-12-15)28-22-27-17-3-1-2-4-18(17)29(22)16-9-23(10-16)7-8-24-13-23/h1-6,11-12,14,16,24H,7-10,13H2,(H,27,28,30).

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

N-[1-(6-azaspiro[3.4]octan-2-yl)benzimidazol-2-yl]-5-pyrimidin-5-ylthiophene-2-carboxamide has a molecular weight of 430.54 g/mol, XLogP of 4.12, 4 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyrimidin-5-ylthiophene-2-carboxamide is sourced from PubChem (CID 134277655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).