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]acetic acid

C26H43N7O2 — CID 68899497

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]acetic acid

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]acetic acid (PubChem CID 68899497) has the molecular formula C26H43N7O2 and a molecular weight of 485.68 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]acetic acid.

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]acetic acid
• PubChem CID: 68899497
• Molecular Formula: C26H43N7O2
• Molecular Weight: 485.68 g/mol
• Exact Mass: 485.35
• 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]acetic acid
• SMILES: CC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1nccn1CC(=O)O)C2
• InChI: InChI=1S/C26H43N7O2/c1-22(2)17-30-12-5-26(6-13-30)7-14-31(21-26)10-4-11-32-15-8-27-23(32)18-29(3)19-24-28-9-16-33(24)20-25(34)35/h8-9,15-16,22H,4-7,10-14,17-21H2,1-3H3,(H,34,35)
• InChIKey: PRASGMLPFNTIIP-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 82.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 12
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	485.68
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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]acetic acid?

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]acetic acid (CID 68899497) 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]acetic acid.

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]acetic acid?

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]acetic acid is CC(C)CN1CCC2(CC1)CCN(CCCn1ccnc1CN(C)Cc1nccn1CC(=O)O)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]acetic acid?

The InChIKey is PRASGMLPFNTIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H43N7O2/c1-22(2)17-30-12-5-26(6-13-30)7-14-31(21-26)10-4-11-32-15-8-27-23(32)18-29(3)19-24-28-9-16-33(24)20-25(34)35/h8-9,15-16,22H,4-7,10-14,17-21H2,1-3H3,(H,34,35).

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]acetic acid?

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]acetic acid has a molecular weight of 485.68 g/mol, XLogP of 2.63, 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]acetic acid is sourced from PubChem (CID 68899497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).