(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one

C20H23N3O2 — CID 59072619

IUPAC(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
SMILESCC(=O)N1C(CCc2ccccc2)N(C)C(=O)[C@H]1Cc1cccnc1
InChIInChI=1S/C20H23N3O2/c1-15(24)23-18(13-17-9-6-12-21-14-17)20(25)22(2)19(23)11-10-16-7-4-3-5-8-16/h3-9,12,14,18-19H,10-11,13H2,1-2H3/t18-,19?/m1/s1
InChIKeyJBGOJCLKWZDRTP-MRTLOADZSA-N
MW337.42 g/mol
LogP2.27
Rot. Bonds5

About (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one

(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one (PubChem CID 59072619) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
PubChem CID59072619
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
SMILESCC(=O)N1C(CCc2ccccc2)N(C)C(=O)[C@H]1Cc1cccnc1
InChIInChI=1S/C20H23N3O2/c1-15(24)23-18(13-17-9-6-12-21-14-17)20(25)22(2)19(23)11-10-16-7-4-3-5-8-16/h3-9,12,14,18-19H,10-11,13H2,1-2H3/t18-,19?/m1/s1
InChIKeyJBGOJCLKWZDRTP-MRTLOADZSA-N
XLogP2.27
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one with MolForge

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Related Compounds

(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 59072610
1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 23531195
1-phenyl-7-pyridin-3-ylheptan-4-one
CID 12701571
1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
CID 68943810
3-pyridin-3-ylpropyl N-benzylcarbamate
CID 10333345
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
tert-butyl (2S,3R,4R)-2-benzyl-3-hydroxy-5-oxo-4-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 11047198
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
3-pyridin-3-ylpropyl hydrogen carbonate
CID 154111868
2-methyl-4-pyridin-3-ylbutanoic acid
CID 79004008
1-acetyl-5-benzyl-3-methyl-2-(4-methylphenyl)imidazolidin-4-one;1-acetyl-5-benzyl-3-methyl-2-phenylimidazolidin-4-one;1-acetyl-2-(4-hydroxyphenyl)-3-methyl-5-(2-methylpropyl)imidazolidin-4-one;1-acetyl-5-[(4-methoxyphenyl)methyl]-3-methyl-2-phenylimidazolidin-4-one;1-acetyl-3-methyl-2-(4-methylphenyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one;bis(1-acetyl-3-methyl-5-(2-methylpropyl)-2-phenylimidazolidin-4-one);1-acetyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one;2-(4-hydroxyphenyl)-1,3-dimethyl-5-(2-methylpropyl)imidazolidin-4-one;2-methyl-3-naphthalen-2-yl-3,5,6,7,8,8a-hexahydroimidazo[1,5-a]pyridin-1-one
CID 157402944
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981

Frequently Asked Questions

What is the IUPAC name of (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one (CID 59072619) is (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one is CC(=O)N1C(CCc2ccccc2)N(C)C(=O)[C@H]1Cc1cccnc1.
What is the InChIKey of (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The InChIKey is JBGOJCLKWZDRTP-MRTLOADZSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-15(24)23-18(13-17-9-6-12-21-14-17)20(25)22(2)19(23)11-10-16-7-4-3-5-8-16/h3-9,12,14,18-19H,10-11,13H2,1-2H3/t18-,19?/m1/s1.
What are the key properties of (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one has a molecular weight of 337.42 g/mol, XLogP of 2.27, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 59072619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).