1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one

C23H26N4O3 — CID 157016998

IUPAC1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CC3(CN(C(=O)c4ccc(C)c(N5CCNC5=O)c4)C3)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-3-4-17(11-20(16)27-10-9-24-22(27)29)21(28)26-14-23(15-26)12-25(13-23)18-5-7-19(30-2)8-6-18/h3-8,11H,9-10,12-15H2,1-2H3,(H,24,29)
InChIKeyJDQLLKRLYOFTTM-UHFFFAOYSA-N
MW406.49 g/mol
LogP2.50
Rot. Bonds4

About 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one

1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 157016998) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one
PubChem CID157016998
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCOc1ccc(N2CC3(CN(C(=O)c4ccc(C)c(N5CCNC5=O)c4)C3)C2)cc1
InChIInChI=1S/C23H26N4O3/c1-16-3-4-17(11-20(16)27-10-9-24-22(27)29)21(28)26-14-23(15-26)12-25(13-23)18-5-7-19(30-2)8-6-18/h3-8,11H,9-10,12-15H2,1-2H3,(H,24,29)
InChIKeyJDQLLKRLYOFTTM-UHFFFAOYSA-N
XLogP2.50
TPSA65.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 72910098
1-[5-(3-methoxypiperidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 70761074
1-[5-[(3R)-3-methoxypiperidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 97141117
1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one
CID 56875042
1-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 115370632
(2R)-1-[4-methyl-3-(2-oxoimidazolidin-1-yl)benzoyl]pyrrolidine-2-carboxylic acid
CID 97206305
1-[5-[2-(4-fluorophenyl)morpholine-4-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70761450
1-[5-[(1R,5S)-3,8-diazabicyclo[3.2.1]octane-8-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 70756934
1-[5-(3-amino-4-phenylpyrrolidine-1-carbonyl)-2-methylphenyl]imidazolidin-2-one
CID 156606116
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915
N-[2-hydroxy-2-(3-methoxyphenyl)ethyl]-4-methyl-3-(2-oxoimidazolidin-1-yl)benzamide
CID 72850232
1-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410

Frequently Asked Questions

What is the IUPAC name of 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one (CID 157016998) is 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one is COc1ccc(N2CC3(CN(C(=O)c4ccc(C)c(N5CCNC5=O)c4)C3)C2)cc1.
What is the InChIKey of 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is JDQLLKRLYOFTTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-16-3-4-17(11-20(16)27-10-9-24-22(27)29)21(28)26-14-23(15-26)12-25(13-23)18-5-7-19(30-2)8-6-18/h3-8,11H,9-10,12-15H2,1-2H3,(H,24,29).
What are the key properties of 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one?
1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 406.49 g/mol, XLogP of 2.50, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 157016998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).