3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide

C30H41N7O — CID 67502445

About 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide

3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide (PubChem CID 67502445) has the molecular formula C30H41N7O and a molecular weight of 515.71 g/mol. Its IUPAC name is 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
• PubChem CID: 67502445
• Molecular Formula: C30H41N7O
• Molecular Weight: 515.71 g/mol
• Exact Mass: 515.34
• IUPAC Name: 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
• SMILES: O=C(c1cccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)c1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
• InChI: InChI=1S/C30H41N7O/c38-29(37(21-27-31-12-13-32-27)22-28-33-14-15-34-28)25-6-4-5-24(19-25)20-35-16-9-30(23-35)10-17-36(18-11-30)26-7-2-1-3-8-26/h4-6,12-15,19,26H,1-3,7-11,16-18,20-23H2,(H,31,32)(H,33,34)
• InChIKey: OAKLFMGZKURKIN-UHFFFAOYSA-N
• XLogP: 4.60
• TPSA: 84.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	515.71
LogP ≤ 5	4.60
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?

The IUPAC name of 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide (CID 67502445) is 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide.

What is the SMILES notation for 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?

The canonical SMILES for 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide is O=C(c1cccc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)c1)N(Cc1ncc[nH]1)Cc1ncc[nH]1.

What is the InChIKey of 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?

The InChIKey is OAKLFMGZKURKIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H41N7O/c38-29(37(21-27-31-12-13-32-27)22-28-33-14-15-34-28)25-6-4-5-24(19-25)20-35-16-9-30(23-35)10-17-36(18-11-30)26-7-2-1-3-8-26/h4-6,12-15,19,26H,1-3,7-11,16-18,20-23H2,(H,31,32)(H,33,34).

What are the key properties of 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?

3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide has a molecular weight of 515.71 g/mol, XLogP of 4.60, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 67502445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).