N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

C26H33N5O — CID 45221989

About N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (PubChem CID 45221989) has the molecular formula C26H33N5O and a molecular weight of 431.58 g/mol. Its IUPAC name is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
• PubChem CID: 45221989
• Molecular Formula: C26H33N5O
• Molecular Weight: 431.58 g/mol
• Exact Mass: 431.27
• IUPAC Name: N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide
• SMILES: CC(Cc1cccnc1)N1CCC2(CC1)CC2C(=O)NCCc1nc2ccccc2n1C
• InChI: InChI=1S/C26H33N5O/c1-19(16-20-6-5-12-27-18-20)31-14-10-26(11-15-31)17-21(26)25(32)28-13-9-24-29-22-7-3-4-8-23(22)30(24)2/h3-8,12,18-19,21H,9-11,13-17H2,1-2H3,(H,28,32)
• InChIKey: BJHGOCISGGDAHP-UHFFFAOYSA-N
• XLogP: 3.36
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	431.58
LogP ≤ 5	3.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?

The IUPAC name of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide (CID 45221989) is N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide.

What is the SMILES notation for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?

The canonical SMILES for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is CC(Cc1cccnc1)N1CCC2(CC1)CC2C(=O)NCCc1nc2ccccc2n1C.

What is the InChIKey of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?

The InChIKey is BJHGOCISGGDAHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O/c1-19(16-20-6-5-12-27-18-20)31-14-10-26(11-15-31)17-21(26)25(32)28-13-9-24-29-22-7-3-4-8-23(22)30(24)2/h3-8,12,18-19,21H,9-11,13-17H2,1-2H3,(H,28,32).

What are the key properties of N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide?

N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide has a molecular weight of 431.58 g/mol, XLogP of 3.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(1-methylbenzimidazol-2-yl)ethyl]-6-(1-pyridin-3-ylpropan-2-yl)-6-azaspiro[2.5]octane-2-carboxamide is sourced from PubChem (CID 45221989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).