2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

C21H28N4O2 — CID 72843018

IUPAC2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(Cc1cncn1Cc1ccccc1)C2
InChIInChI=1S/C21H28N4O2/c26-12-11-24-9-4-7-21(20(24)27)8-10-23(16-21)15-19-13-22-17-25(19)14-18-5-2-1-3-6-18/h1-3,5-6,13,17,26H,4,7-12,14-16H2
InChIKeyZJYLWPAEDZLOHH-UHFFFAOYSA-N
MW368.48 g/mol
LogP1.74
Rot. Bonds6

About 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one

2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (PubChem CID 72843018) has the molecular formula C21H28N4O2 and a molecular weight of 368.48 g/mol. Its IUPAC name is 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.

Molecular Properties

Compound Name2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
PubChem CID72843018
Molecular FormulaC21H28N4O2
Molecular Weight368.48 g/mol
Exact Mass368.22
IUPAC Name2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one
SMILESO=C1N(CCO)CCCC12CCN(Cc1cncn1Cc1ccccc1)C2
InChIInChI=1S/C21H28N4O2/c26-12-11-24-9-4-7-21(20(24)27)8-10-23(16-21)15-19-13-22-17-25(19)14-18-5-2-1-3-6-18/h1-3,5-6,13,17,26H,4,7-12,14-16H2
InChIKeyZJYLWPAEDZLOHH-UHFFFAOYSA-N
XLogP1.74
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.48
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-7-(3-phenylpropyl)-2-(pyridin-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 42521731
7-(2-hydroxyethyl)-2-(2H-triazol-4-ylmethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 72894349
[1-[(3-benzylimidazol-4-yl)methyl]-3-propylpiperidin-3-yl]methanol
CID 70719084
1-benzyl-4-[(3-benzylimidazol-4-yl)methyl]piperazine
CID 154747305
1'-benzylspiro[6,7-dihydro-5H-imidazo[1,5-a]pyridine-8,3'-pyrrolidine]
CID 68575735
4-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-1-methylpyrrole-2-carbonitrile
CID 97149326
2-(2-hydroxyacetyl)-7-(2-phenylethyl)-2,7-diazaspiro[4.5]decan-6-one
CID 119069763
2-[(2R)-4-[(3-benzylimidazol-4-yl)methyl]-1-methylpiperazin-2-yl]ethanol
CID 124852713
9-[(1-methylpyrrol-2-yl)methyl]-2-(pyridin-3-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 134075078
(5R)-2,9-bis(pyridin-4-ylmethyl)-2,9-diazaspiro[4.5]decan-1-one
CID 97371955
(5S)-2-[(2,3-dimethylimidazol-4-yl)methyl]-7-[(3-methoxyphenyl)methyl]-2,7-diazaspiro[4.5]decan-6-one
CID 25285350
2-[[(5S)-7-(2-hydroxyethyl)-6-oxo-2,7-diazaspiro[4.5]decan-2-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 97119587

Frequently Asked Questions

What is the IUPAC name of 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The IUPAC name of 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one (CID 72843018) is 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one.
What is the SMILES notation for 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The canonical SMILES for 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is O=C1N(CCO)CCCC12CCN(Cc1cncn1Cc1ccccc1)C2.
What is the InChIKey of 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
The InChIKey is ZJYLWPAEDZLOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N4O2/c26-12-11-24-9-4-7-21(20(24)27)8-10-23(16-21)15-19-13-22-17-25(19)14-18-5-2-1-3-6-18/h1-3,5-6,13,17,26H,4,7-12,14-16H2.
What are the key properties of 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one?
2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one has a molecular weight of 368.48 g/mol, XLogP of 1.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-benzylimidazol-4-yl)methyl]-7-(2-hydroxyethyl)-2,7-diazaspiro[4.5]decan-6-one is sourced from PubChem (CID 72843018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).