4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one

C20H25N3O4 — CID 139005794

IUPAC4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)N2CC(C)OC3(CCOCC3)C2)cc1
InChIInChI=1S/C20H25N3O4/c1-14-11-21-19(25)23(14)17-5-3-16(4-6-17)18(24)22-12-15(2)27-20(13-22)7-9-26-10-8-20/h3-6,11,15H,7-10,12-13H2,1-2H3,(H,21,25)
InChIKeyRVWRFHBAPHMXNP-UHFFFAOYSA-N
MW371.44 g/mol
LogP1.88
Rot. Bonds2

About 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one

4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one (PubChem CID 139005794) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one
PubChem CID139005794
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC Name4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one
SMILESCc1c[nH]c(=O)n1-c1ccc(C(=O)N2CC(C)OC3(CCOCC3)C2)cc1
InChIInChI=1S/C20H25N3O4/c1-14-11-21-19(25)23(14)17-5-3-16(4-6-17)18(24)22-12-15(2)27-20(13-22)7-9-26-10-8-20/h3-6,11,15H,7-10,12-13H2,1-2H3,(H,21,25)
InChIKeyRVWRFHBAPHMXNP-UHFFFAOYSA-N
XLogP1.88
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]-[(2S)-2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl]methanone
CID 171359325
1-methyl-6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)-3,4-dihydroquinolin-2-one
CID 139005822
[(2R,6S)-2,6-dimethylmorpholin-4-yl]-[4-(2,5-dimethylpyrrol-1-yl)phenyl]methanone
CID 34280429
[(5R,7S)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-(1-propan-2-ylimidazol-4-yl)methanone
CID 124725248
4-[3-[(5R,7R)-7-methyl-2,6-dioxa-9-azaspiro[4.5]decan-9-yl]-3-oxopropyl]benzoic acid
CID 129470656
4-methyl-3-[4-[2-(methylamino)acetyl]phenyl]-1H-imidazol-2-one
CID 117365072
1-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)-2-(3-methylindol-1-yl)ethanone
CID 119036834
N-[[4-(2-methyl-1-oxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]methyl]prop-2-enamide
CID 166405890
3-[4-[4-(1-benzofuran-2-carbonyl)piperazine-1-carbonyl]phenyl]-4-methyl-1H-imidazol-2-one
CID 166194318
6-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)pyridine-2-carboxylic acid
CID 122057048
3-[4-(3-aminopropanoyl)phenyl]-4-methyl-1H-imidazol-2-one
CID 117365079
3-[(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecan-4-yl)sulfonyl]-4-propan-2-ylbenzoic acid
CID 146130175

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one?
The IUPAC name of 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one (CID 139005794) is 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one?
The canonical SMILES for 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one is Cc1c[nH]c(=O)n1-c1ccc(C(=O)N2CC(C)OC3(CCOCC3)C2)cc1.
What is the InChIKey of 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one?
The InChIKey is RVWRFHBAPHMXNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-14-11-21-19(25)23(14)17-5-3-16(4-6-17)18(24)22-12-15(2)27-20(13-22)7-9-26-10-8-20/h3-6,11,15H,7-10,12-13H2,1-2H3,(H,21,25).
What are the key properties of 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one?
4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one has a molecular weight of 371.44 g/mol, XLogP of 1.88, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[4-(2-methyl-1,9-dioxa-4-azaspiro[5.5]undecane-4-carbonyl)phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 139005794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).