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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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).