(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one

C12H17N3O — CID 176750440

IUPAC(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)N1C[C@@H](Cc2ccccn2)NC1=O
InChIInChI=1S/C12H17N3O/c1-9(2)15-8-11(14-12(15)16)7-10-5-3-4-6-13-10/h3-6,9,11H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeySDIGEUSEABQUCR-LLVKDONJSA-N
MW219.29 g/mol
LogP1.43
Rot. Bonds3

About (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one

(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one (PubChem CID 176750440) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one
PubChem CID176750440
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one
SMILESCC(C)N1C[C@@H](Cc2ccccn2)NC1=O
InChIInChI=1S/C12H17N3O/c1-9(2)15-8-11(14-12(15)16)7-10-5-3-4-6-13-10/h3-6,9,11H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1
InChIKeySDIGEUSEABQUCR-LLVKDONJSA-N
XLogP1.43
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[1,4-di(propan-2-yl)pyrrolidin-3-yl]methyl]pyridine
CID 166501051
2-[[4-(2-methylpropyl)cyclohexyl]methyl]pyridine
CID 129147354
3-propan-2-yl-8-(pyridin-2-ylmethyl)-3,8-diazabicyclo[3.2.1]octane
CID 67986727
3-methyl-4-(pyridin-2-ylmethyl)-1,3-oxazolidin-2-one
CID 19987344
2-[[1-(2-methylpropyl)piperidin-4-yl]methyl]pyridine
CID 174571259
1-phenyl-4-(pyridin-2-ylmethyl)pyrrolidin-2-one
CID 91784595
1,4-dimethyl-6-(pyridin-2-ylmethyl)-1,4-diazepan-5-one
CID 110252027
1-[(2R)-2-(pyridin-2-ylmethyl)pyrrolidin-1-yl]ethanone
CID 95842154
(5S)-5-methyl-3-propan-2-yl-5-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]imidazolidine-2,4-dione
CID 97084075
3-(2-oxo-4-pyridin-2-ylimidazolidin-1-yl)butanoic acid
CID 116979672
4-tert-butyl-2-(pyridin-2-ylmethyl)cyclohexan-1-one
CID 79416698
(2S)-2-[(3S)-2-oxo-3-(pyridin-2-ylmethylamino)pyrrolidin-1-yl]propanoic acid
CID 69066892

Frequently Asked Questions

What is the IUPAC name of (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one?
The IUPAC name of (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one (CID 176750440) is (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one.
What is the SMILES notation for (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one?
The canonical SMILES for (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one is CC(C)N1C[C@@H](Cc2ccccn2)NC1=O.
What is the InChIKey of (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one?
The InChIKey is SDIGEUSEABQUCR-LLVKDONJSA-N. The full InChI is InChI=1S/C12H17N3O/c1-9(2)15-8-11(14-12(15)16)7-10-5-3-4-6-13-10/h3-6,9,11H,7-8H2,1-2H3,(H,14,16)/t11-/m1/s1.
What are the key properties of (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one?
(4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one has a molecular weight of 219.29 g/mol, XLogP of 1.43, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-propan-2-yl-4-(pyridin-2-ylmethyl)imidazolidin-2-one is sourced from PubChem (CID 176750440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).