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

C20H23N3O2 — CID 23531195

IUPAC1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one
SMILESCCCC(=O)N1C(Cc2cccnc2)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-8-18(24)23-17(13-15-9-7-12-21-14-15)20(25)22(2)19(23)16-10-5-4-6-11-16/h4-7,9-12,14,17,19H,3,8,13H2,1-2H3
InChIKeyKUVNQNRHQSWKKJ-UHFFFAOYSA-N
MW337.42 g/mol
LogP2.79
Rot. Bonds5

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

1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one (PubChem CID 23531195) has the molecular formula C20H23N3O2 and a molecular weight of 337.42 g/mol. Its IUPAC name is 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one
PubChem CID23531195
Molecular FormulaC20H23N3O2
Molecular Weight337.42 g/mol
Exact Mass337.18
IUPAC Name1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one
SMILESCCCC(=O)N1C(Cc2cccnc2)C(=O)N(C)C1c1ccccc1
InChIInChI=1S/C20H23N3O2/c1-3-8-18(24)23-17(13-15-9-7-12-21-14-15)20(25)22(2)19(23)16-10-5-4-6-11-16/h4-7,9-12,14,17,19H,3,8,13H2,1-2H3
InChIKeyKUVNQNRHQSWKKJ-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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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-3,5-dimethyl-2-phenylimidazolidin-4-one
CID 23384012
(5R)-1-acetyl-3-methyl-2-(2-phenylethyl)-5-(pyridin-3-ylmethyl)imidazolidin-4-one
CID 59072619
(5R)-1-acetyl-5-[(4-chlorophenyl)methyl]-3-methyl-2-phenylimidazolidin-4-one
CID 59072611
1-[(2S,3R,5R)-3,5-dimethyl-2-phenylmorpholin-4-yl]-3-pyridin-3-ylpropan-1-one
CID 100847911
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
1-butyl-4-hydroxy-3-(3-phenylpropanoyl)-2-pyridin-3-yl-2H-pyrrol-5-one
CID 108631390
benzyl (2S,5R)-2-phenyl-5-(pyridin-3-ylmethyl)pyrrolidine-1-carboxylate
CID 102028482
3-phenyl-1-(3-pyridin-3-ylazetidin-1-yl)propan-1-one
CID 56907792
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-phenyl-N-(pyridin-3-ylmethyl)methanamine;N-(pyridin-3-ylmethyl)ethanamine
CID 174270590

Frequently Asked Questions

What is the IUPAC name of 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The IUPAC name of 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one (CID 23531195) is 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one is CCCC(=O)N1C(Cc2cccnc2)C(=O)N(C)C1c1ccccc1.
What is the InChIKey of 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
The InChIKey is KUVNQNRHQSWKKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2/c1-3-8-18(24)23-17(13-15-9-7-12-21-14-15)20(25)22(2)19(23)16-10-5-4-6-11-16/h4-7,9-12,14,17,19H,3,8,13H2,1-2H3.
What are the key properties of 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one?
1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one has a molecular weight of 337.42 g/mol, XLogP of 2.79, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butanoyl-3-methyl-2-phenyl-5-(pyridin-3-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 23531195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).