3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide

C25H31N5O3 — CID 125160929

About 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide

3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide (PubChem CID 125160929) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
• PubChem CID: 125160929
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide
• SMILES: O=C(CCn1c(=O)[nH]c2ccccc21)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1
• InChI: InChI=1S/C25H31N5O3/c31-23(8-13-30-22-6-2-1-5-21(22)28-24(30)32)27-17-20-7-9-25(33-20)10-14-29(15-11-25)18-19-4-3-12-26-16-19/h1-6,12,16,20H,7-11,13-15,17-18H2,(H,27,31)(H,28,32)/t20-/m1/s1
• InChIKey: OJAZBHDHKQIDKV-HXUWFJFHSA-N
• XLogP: 2.44
• TPSA: 92.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	2.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?

The IUPAC name of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide (CID 125160929) is 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide.

What is the SMILES notation for 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?

The canonical SMILES for 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide is O=C(CCn1c(=O)[nH]c2ccccc21)NC[C@H]1CCC2(CCN(Cc3cccnc3)CC2)O1.

What is the InChIKey of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?

The InChIKey is OJAZBHDHKQIDKV-HXUWFJFHSA-N. The full InChI is InChI=1S/C25H31N5O3/c31-23(8-13-30-22-6-2-1-5-21(22)28-24(30)32)27-17-20-7-9-25(33-20)10-14-29(15-11-25)18-19-4-3-12-26-16-19/h1-6,12,16,20H,7-11,13-15,17-18H2,(H,27,31)(H,28,32)/t20-/m1/s1.

What are the key properties of 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide?

3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide has a molecular weight of 449.56 g/mol, XLogP of 2.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(2-oxo-3H-benzimidazol-1-yl)-N-[[(2R)-8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-2-yl]methyl]propanamide is sourced from PubChem (CID 125160929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).