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

C28H37N7O — CID 58300408

IUPAC4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
SMILESO=C(c1ccc(CN2CCC3(CCN(CC4CC4)CC3)C2)cc1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C28H37N7O/c36-27(35(19-25-29-10-11-30-25)20-26-31-12-13-32-26)24-5-3-23(4-6-24)18-34-16-9-28(21-34)7-14-33(15-8-28)17-22-1-2-22/h3-6,10-13,22H,1-2,7-9,14-21H2,(H,29,30)(H,31,32)
InChIKeyZQFTUZKAKHLMIG-UHFFFAOYSA-N
MW487.65 g/mol
LogP3.67
Rot. Bonds9

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

4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide (PubChem CID 58300408) has the molecular formula C28H37N7O and a molecular weight of 487.65 g/mol. Its IUPAC name is 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
PubChem CID58300408
Molecular FormulaC28H37N7O
Molecular Weight487.65 g/mol
Exact Mass487.31
IUPAC Name4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
SMILESO=C(c1ccc(CN2CCC3(CCN(CC4CC4)CC3)C2)cc1)N(Cc1ncc[nH]1)Cc1ncc[nH]1
InChIInChI=1S/C28H37N7O/c36-27(35(19-25-29-10-11-30-25)20-26-31-12-13-32-26)24-5-3-23(4-6-24)18-34-16-9-28(21-34)7-14-33(15-8-28)17-22-1-2-22/h3-6,10-13,22H,1-2,7-9,14-21H2,(H,29,30)(H,31,32)
InChIKeyZQFTUZKAKHLMIG-UHFFFAOYSA-N
XLogP3.67
TPSA84.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-bis(1H-imidazol-2-ylmethyl)-4-[[8-[[4-(trifluoromethyl)phenyl]methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]benzamide
CID 67502820
4-[[8-[(5-chlorothiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 58300414
4-[(8-heptan-4-yl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 23649094
N,N-bis(1H-imidazol-2-ylmethyl)-4-[[2-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-8-yl]methyl]benzamide
CID 67500513
4-[[2-(2,2-dimethylpropyl)-2,9-diazaspiro[5.5]undecan-9-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67502274
N,N-bis(1H-imidazol-2-ylmethyl)-4-[[7-(thiophen-2-ylmethyl)-2,7-diazaspiro[3.5]nonan-2-yl]methyl]benzamide
CID 67500500
3-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67502445
N-(1H-imidazol-2-ylmethyl)-N-[[4-[[8-[(3-methylthiophen-2-yl)methyl]-2,8-diazaspiro[4.5]decan-2-yl]methyl]phenyl]methyl]-1H-imidazole-2-carboxamide
CID 67501504
4-[(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)methyl]-N,N-bis(1H-imidazol-2-ylmethyl)-2,6-dimethylbenzamide
CID 67501597
N-(1H-imidazol-2-ylmethyl)-N-[(1-methylimidazol-2-yl)methyl]-4-[[3-(2-methylpropyl)-3,9-diazaspiro[5.5]undecan-9-yl]methyl]benzamide
CID 67500987
3-[2-(8-cyclohexyl-2,8-diazaspiro[4.5]decan-2-yl)ethyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide
CID 67501797
2-[[4-[8-(cyclohexylmethyl)-2,8-diazaspiro[4.5]decane-2-carbonyl]phenyl]methyl-(1H-imidazol-2-ylmethyl)amino]ethanimidamide
CID 154553888

Frequently Asked Questions

What is the IUPAC name of 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
The IUPAC name of 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide (CID 58300408) is 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide.
What is the SMILES notation for 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
The canonical SMILES for 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide is O=C(c1ccc(CN2CCC3(CCN(CC4CC4)CC3)C2)cc1)N(Cc1ncc[nH]1)Cc1ncc[nH]1.
What is the InChIKey of 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
The InChIKey is ZQFTUZKAKHLMIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H37N7O/c36-27(35(19-25-29-10-11-30-25)20-26-31-12-13-32-26)24-5-3-23(4-6-24)18-34-16-9-28(21-34)7-14-33(15-8-28)17-22-1-2-22/h3-6,10-13,22H,1-2,7-9,14-21H2,(H,29,30)(H,31,32).
What are the key properties of 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide?
4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide has a molecular weight of 487.65 g/mol, XLogP of 3.67, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[8-(cyclopropylmethyl)-2,8-diazaspiro[4.5]decan-2-yl]methyl]-N,N-bis(1H-imidazol-2-ylmethyl)benzamide is sourced from PubChem (CID 58300408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).