4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde

C28H38N4O2 — CID 142546325

About 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde

4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde (PubChem CID 142546325) has the molecular formula C28H38N4O2 and a molecular weight of 462.64 g/mol. Its IUPAC name is 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde.

Molecular Properties

• Compound Name: 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde
• PubChem CID: 142546325
• Molecular Formula: C28H38N4O2
• Molecular Weight: 462.64 g/mol
• Exact Mass: 462.30
• IUPAC Name: 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde
• SMILES: C=O.CNc1ccc2c(nc(Cc3ccccc3)n2C2CCC3(CC2)CNC3)c1CCC(C)O
• InChI: InChI=1S/C27H36N4O.CH2O/c1-19(32)8-9-22-23(28-2)10-11-24-26(22)30-25(16-20-6-4-3-5-7-20)31(24)21-12-14-27(15-13-21)17-29-18-27;1-2/h3-7,10-11,19,21,28-29,32H,8-9,12-18H2,1-2H3;1H2
• InChIKey: SVMOZEXIPDXKBQ-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 79.18 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	462.64
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde?

The IUPAC name of 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde (CID 142546325) is 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde.

What is the SMILES notation for 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde?

The canonical SMILES for 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde is C=O.CNc1ccc2c(nc(Cc3ccccc3)n2C2CCC3(CC2)CNC3)c1CCC(C)O.

What is the InChIKey of 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde?

The InChIKey is SVMOZEXIPDXKBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O.CH2O/c1-19(32)8-9-22-23(28-2)10-11-24-26(22)30-25(16-20-6-4-3-5-7-20)31(24)21-12-14-27(15-13-21)17-29-18-27;1-2/h3-7,10-11,19,21,28-29,32H,8-9,12-18H2,1-2H3;1H2.

What are the key properties of 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde?

4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde has a molecular weight of 462.64 g/mol, XLogP of 4.50, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-(2-azaspiro[3.5]nonan-7-yl)-2-benzyl-5-(methylamino)benzimidazol-4-yl]butan-2-ol;formaldehyde is sourced from PubChem (CID 142546325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).