3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

C26H32N4O — CID 42289303

About 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone

3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (PubChem CID 42289303) has the molecular formula C26H32N4O and a molecular weight of 416.57 g/mol. Its IUPAC name is 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

Molecular Properties

• Compound Name: 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• PubChem CID: 42289303
• Molecular Formula: C26H32N4O
• Molecular Weight: 416.57 g/mol
• Exact Mass: 416.26
• IUPAC Name: 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
• SMILES: CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccc5nc[nH]c5c4)C3)C2)cc1
• InChI: InChI=1S/C26H32N4O/c1-19(2)21-6-4-20(5-7-21)15-29-12-3-10-26(16-29)11-13-30(17-26)25(31)22-8-9-23-24(14-22)28-18-27-23/h4-9,14,18-19H,3,10-13,15-17H2,1-2H3,(H,27,28)/t26-/m0/s1
• InChIKey: GMMBXPOQZVVMCQ-SANMLTNESA-N
• XLogP: 4.81
• TPSA: 52.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	416.57
LogP ≤ 5	4.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The IUPAC name of 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone (CID 42289303) is 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone.

What is the SMILES notation for 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The canonical SMILES for 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is CC(C)c1ccc(CN2CCC[C@]3(CCN(C(=O)c4ccc5nc[nH]c5c4)C3)C2)cc1.

What is the InChIKey of 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

The InChIKey is GMMBXPOQZVVMCQ-SANMLTNESA-N. The full InChI is InChI=1S/C26H32N4O/c1-19(2)21-6-4-20(5-7-21)15-29-12-3-10-26(16-29)11-13-30(17-26)25(31)22-8-9-23-24(14-22)28-18-27-23/h4-9,14,18-19H,3,10-13,15-17H2,1-2H3,(H,27,28)/t26-/m0/s1.

What are the key properties of 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone?

3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone has a molecular weight of 416.57 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 3H-benzimidazol-5-yl-[(5S)-9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone is sourced from PubChem (CID 42289303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).