2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

C22H30N4O2 — CID 118567644

IUPAC2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2nccn2C)C1=O
InChIInChI=1S/C22H30N4O2/c1-18-21(27)26(16-20-23-11-15-24(20)2)17-22(28-18)9-13-25(14-10-22)12-8-19-6-4-3-5-7-19/h3-7,11,15,18H,8-10,12-14,16-17H2,1-2H3
InChIKeyFIFGNXBYHOYSNE-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.24
Rot. Bonds5

About 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one

2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (PubChem CID 118567644) has the molecular formula C22H30N4O2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.

Molecular Properties

Compound Name2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
PubChem CID118567644
Molecular FormulaC22H30N4O2
Molecular Weight382.51 g/mol
Exact Mass382.24
IUPAC Name2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
SMILESCC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2nccn2C)C1=O
InChIInChI=1S/C22H30N4O2/c1-18-21(27)26(16-20-23-11-15-24(20)2)17-22(28-18)9-13-25(14-10-22)12-8-19-6-4-3-5-7-19/h3-7,11,15,18H,8-10,12-14,16-17H2,1-2H3
InChIKeyFIFGNXBYHOYSNE-UHFFFAOYSA-N
XLogP2.24
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-(1-benzyl-1H-imidazol-2-yl)-4-phenylpiperidin-1-yl)-2-methoxyethanone
CID 11280721
2-methoxy-1-(4-phenyl-4-(1-(1-phenylethyl)-1H-imidazol-2-yl)piperidin-1-yl)ethanone
CID 11373068
2-Methyl-9-(2-phenylethyl)-4-pyrazin-2-yl-1-oxa-4,9-diazaspiro[5.5]undecan-3-one
CID 118567605
rac-1-(2-((1H-imidazol-1-yl)methyl)morpholino)-2-(4-fluorophenyl)ethanone
CID 46960541
(4aR,7aS)-4-[(1-methylimidazol-2-yl)methyl]-6-(3-phenylpropyl)-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775142
1-[4-Hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-3-phenylpropan-1-one
CID 16667945
1-[4-Hydroxy-4-(1-methylimidazol-2-yl)piperidin-1-yl]-2-phenylethanone
CID 16671828
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
CID 47031047
N-[[4-(imidazol-1-ylmethyl)phenyl]methyl]-2-(2-methylpropoxy)propanamide
CID 47044175
(4aR,7aS)-6-[(3,4-difluorophenyl)methyl]-4-[(1-methylimidazol-2-yl)methyl]-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775141
3-ethyl-N-[[1-(2-phenylethyl)imidazol-2-yl]methyl]morpholine-4-carboxamide
CID 71859642
4-benzyl-N-methyl-N-[(1-methylimidazol-2-yl)methyl]-5-oxomorpholine-3-carboxamide
CID 71877755

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The IUPAC name of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one (CID 118567644) is 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one.
What is the SMILES notation for 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The canonical SMILES for 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is CC1OC2(CCN(CCc3ccccc3)CC2)CN(Cc2nccn2C)C1=O.
What is the InChIKey of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
The InChIKey is FIFGNXBYHOYSNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O2/c1-18-21(27)26(16-20-23-11-15-24(20)2)17-22(28-18)9-13-25(14-10-22)12-8-19-6-4-3-5-7-19/h3-7,11,15,18H,8-10,12-14,16-17H2,1-2H3.
What are the key properties of 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one?
2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one has a molecular weight of 382.51 g/mol, XLogP of 2.24, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-[(1-methylimidazol-2-yl)methyl]-9-(2-phenylethyl)-1-oxa-4,9-diazaspiro[5.5]undecan-3-one is sourced from PubChem (CID 118567644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).