About 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol
2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol (PubChem CID 68901527) has the molecular formula C26H45N7O
and a molecular weight of 471.69 g/mol. Its IUPAC name is 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol.
Molecular Properties
| Compound Name | 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol |
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| PubChem CID | 68901527 |
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| Molecular Formula | C26H45N7O |
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| Molecular Weight | 471.69 g/mol |
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| Exact Mass | 471.37 |
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| IUPAC Name | 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol |
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| SMILES | CC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1nccn1CCO)C2 |
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| InChI | InChI=1S/C26H45N7O/c1-23(2)19-30-12-5-26(6-13-30)7-14-31(22-26)10-4-11-32-15-8-27-24(32)20-29(3)21-25-28-9-16-33(25)17-18-34/h8-9,15-16,23,34H,4-7,10-14,17-22H2,1-3H3 |
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| InChIKey | UPXPBXAPHZZKLY-UHFFFAOYSA-N |
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| XLogP | 2.54 |
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| TPSA | 65.59 Ų |
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| H-Bond Donors | 1 |
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| H-Bond Acceptors | 8 |
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| Rotatable Bonds | 12 |
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| Heavy Atoms | 34 |
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| Complexity | — |
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Lipinski Rule of Five
Passes Rule of Five
| Rule | Value |
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| MW ≤ 500 | 471.69 |
| LogP ≤ 5 | 2.54 |
| H-Bond Donors ≤ 5 | 1 |
| H-Bond Acceptors ≤ 10 | 8 |
Analyze 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol with MolForge
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Frequently Asked Questions
What is the IUPAC name of 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol?
The IUPAC name of 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol (CID 68901527) is 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol.
What is the SMILES notation for 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol?
The canonical SMILES for 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol is CC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1nccn1CCO)C2.
What is the InChIKey of 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol?
The InChIKey is UPXPBXAPHZZKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H45N7O/c1-23(2)19-30-12-5-26(6-13-30)7-14-31(22-26)10-4-11-32-15-8-27-24(32)20-29(3)21-25-28-9-16-33(25)17-18-34/h8-9,15-16,23,34H,4-7,10-14,17-22H2,1-3H3.
What are the key properties of 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol?
2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol has a molecular weight of 471.69 g/mol, XLogP of 2.54, 12 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[methyl-[[1-[3-[8-(2-methylpropyl)-2,8-diazaspiro[4.5]decan-2-yl]propyl]imidazol-2-yl]methyl]amino]methyl]imidazol-1-yl]ethanol is sourced from PubChem (CID 68901527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).