1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

C18H25N3O3 — CID 72910098

IUPAC1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)cc1N1CCNC1=O
InChIInChI=1S/C18H25N3O3/c1-12-5-6-13(9-14(12)21-8-7-19-16(21)23)15(22)20-10-17(2,3)18(4,24)11-20/h5-6,9,24H,7-8,10-11H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyYQFNRDRREOYYDV-SFHVURJKSA-N
MW331.42 g/mol
LogP1.76
Rot. Bonds2

About 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one

1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (PubChem CID 72910098) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
PubChem CID72910098
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC Name1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one
SMILESCc1ccc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)cc1N1CCNC1=O
InChIInChI=1S/C18H25N3O3/c1-12-5-6-13(9-14(12)21-8-7-19-16(21)23)15(22)20-10-17(2,3)18(4,24)11-20/h5-6,9,24H,7-8,10-11H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyYQFNRDRREOYYDV-SFHVURJKSA-N
XLogP1.76
TPSA72.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[5-[6-(4-methoxyphenyl)-2,6-diazaspiro[3.3]heptane-2-carbonyl]-2-methylphenyl]imidazolidin-2-one
CID 157016998
1-[2-methyl-5-(1-oxa-8-azaspiro[4.5]decane-8-carbonyl)phenyl]imidazolidin-2-one
CID 56875042
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-[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
(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-[2-methyl-5-[(3R)-3-(3-methylphenyl)piperidine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97127410
1-[2-methyl-5-[(2S)-4-methyl-2-phenylpiperazine-1-carbonyl]phenyl]imidazolidin-2-one
CID 97156710
4-methyl-N-[(3-methylthiophen-2-yl)methyl]-3-(2-oxoimidazolidin-1-yl)benzamide
CID 50955536
1-[5-(3,5-dimethylpiperazine-1-carbonyl)-2-methoxyphenyl]imidazolidin-2-one
CID 122147915

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The IUPAC name of 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one (CID 72910098) is 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one.
What is the SMILES notation for 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The canonical SMILES for 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is Cc1ccc(C(=O)N2CC(C)(C)[C@@](C)(O)C2)cc1N1CCNC1=O.
What is the InChIKey of 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
The InChIKey is YQFNRDRREOYYDV-SFHVURJKSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-12-5-6-13(9-14(12)21-8-7-19-16(21)23)15(22)20-10-17(2,3)18(4,24)11-20/h5-6,9,24H,7-8,10-11H2,1-4H3,(H,19,23)/t18-/m0/s1.
What are the key properties of 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one?
1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one has a molecular weight of 331.42 g/mol, XLogP of 1.76, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3R)-3-hydroxy-3,4,4-trimethylpyrrolidine-1-carbonyl]-2-methylphenyl]imidazolidin-2-one is sourced from PubChem (CID 72910098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).