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

C22H27N3O2 — CID 59072610

IUPAC(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
SMILESCCCC(=O)N1C(CCc2ccccc2)N(C)C(=O)[C@H]1Cc1cccnc1
InChIInChI=1S/C22H27N3O2/c1-3-8-21(26)25-19(15-18-11-7-14-23-16-18)22(27)24(2)20(25)13-12-17-9-5-4-6-10-17/h4-7,9-11,14,16,19-20H,3,8,12-13,15H2,1-2H3/t19-,20?/m1/s1
InChIKeyRYWSNJWRQBNQFC-FIWHBWSRSA-N
MW365.48 g/mol
LogP3.05
Rot. Bonds7

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

(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one (PubChem CID 59072610) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
PubChem CID59072610
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
SMILESCCCC(=O)N1C(CCc2ccccc2)N(C)C(=O)[C@H]1Cc1cccnc1
InChIInChI=1S/C22H27N3O2/c1-3-8-21(26)25-19(15-18-11-7-14-23-16-18)22(27)24(2)20(25)13-12-17-9-5-4-6-10-17/h4-7,9-11,14,16,19-20H,3,8,12-13,15H2,1-2H3/t19-,20?/m1/s1
InChIKeyRYWSNJWRQBNQFC-FIWHBWSRSA-N
XLogP3.05
TPSA53.51 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 59072619
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-butyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631390
1-[4-(2-phenylethyl)piperazin-1-yl]-3-pyridin-3-ylpropan-2-one
CID 68943810
2-oxo-4-pyridin-3-ylbutanoic acid
CID 12014964
(3R)-1-ethyl-3-[(2-phenylphenyl)methyl]-4-(3-pyridin-3-ylpropanoyl)piperazin-2-one
CID 129453365
1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 100847911
3-[1-(2-pyridin-3-ylethyl)piperidin-4-yl]propanoic acid
CID 63262981
3-pyridin-3-ylpropyl N-benzylcarbamate
CID 10333345
(2S,3R)-1-propyl-2-(pyridin-3-ylmethyl)pyrrolidin-3-ol
CID 97470194
(2S,5S)-5-benzyl-2-tert-butyl-3-methyl-4-oxoimidazolidine-1-carbonyl chloride
CID 138977927

Frequently Asked Questions

What is the IUPAC name of (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one (CID 59072610) is (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one is CCCC(=O)N1C(CCc2ccccc2)N(C)C(=O)[C@H]1Cc1cccnc1.
What is the InChIKey of (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The InChIKey is RYWSNJWRQBNQFC-FIWHBWSRSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-8-21(26)25-19(15-18-11-7-14-23-16-18)22(27)24(2)20(25)13-12-17-9-5-4-6-10-17/h4-7,9-11,14,16,19-20H,3,8,12-13,15H2,1-2H3/t19-,20?/m1/s1.
What are the key properties of (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
(5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one has a molecular weight of 365.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-1-butanoyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 59072610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).