4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide

C32H45N7O — CID 67501597

About 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide

4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide (PubChem CID 67501597) has the molecular formula C32H45N7O and a molecular weight of 543.76 g/mol. Its IUPAC name is 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide
• PubChem CID: 67501597
• Molecular Formula: C32H45N7O
• Molecular Weight: 543.76 g/mol
• Exact Mass: 543.37
• IUPAC Name: 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide
• SMILES: Cc1cc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc(C)c1C(=O)N(Cc1ncc[nH]1)Cc1ncc[nH]1
• InChI: InChI=1S/C32H45N7O/c1-24-18-26(20-37-15-8-32(23-37)9-16-38(17-10-32)27-6-4-3-5-7-27)19-25(2)30(24)31(40)39(21-28-33-11-12-34-28)22-29-35-13-14-36-29/h11-14,18-19,27H,3-10,15-17,20-23H2,1-2H3,(H,33,34)(H,35,36)
• InChIKey: FDCRRKLKSDYVKX-UHFFFAOYSA-N
• XLogP: 5.21
• TPSA: 84.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	543.76
LogP ≤ 5	5.21
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide?

The IUPAC name of 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide (CID 67501597) is 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide.

What is the SMILES notation for 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide?

The canonical SMILES for 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide is Cc1cc(CN2CCC3(CCN(C4CCCCC4)CC3)C2)cc(C)c1C(=O)N(Cc1ncc[nH]1)Cc1ncc[nH]1.

What is the InChIKey of 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide?

The InChIKey is FDCRRKLKSDYVKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H45N7O/c1-24-18-26(20-37-15-8-32(23-37)9-16-38(17-10-32)27-6-4-3-5-7-27)19-25(2)30(24)31(40)39(21-28-33-11-12-34-28)22-29-35-13-14-36-29/h11-14,18-19,27H,3-10,15-17,20-23H2,1-2H3,(H,33,34)(H,35,36).

What are the key properties of 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide?

4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide has a molecular weight of 543.76 g/mol, XLogP of 5.21, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide is sourced from PubChem (CID 67501597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).