1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone

C14H21N3O — CID 110198065

IUPAC1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ncc(C)n2C2CC2)C1
InChIInChI=1S/C14H21N3O/c1-10-8-15-14(17(10)13-3-4-13)7-12-5-6-16(9-12)11(2)18/h8,12-13H,3-7,9H2,1-2H3
InChIKeyOVISJHDAJGAIFY-UHFFFAOYSA-N
MW247.34 g/mol
LogP1.94
Rot. Bonds3

About 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone

1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone (PubChem CID 110198065) has the molecular formula C14H21N3O and a molecular weight of 247.34 g/mol. Its IUPAC name is 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
PubChem CID110198065
Molecular FormulaC14H21N3O
Molecular Weight247.34 g/mol
Exact Mass247.17
IUPAC Name1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(Cc2ncc(C)n2C2CC2)C1
InChIInChI=1S/C14H21N3O/c1-10-8-15-14(17(10)13-3-4-13)7-12-5-6-16(9-12)11(2)18/h8,12-13H,3-7,9H2,1-2H3
InChIKeyOVISJHDAJGAIFY-UHFFFAOYSA-N
XLogP1.94
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.34
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone 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

1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 188401
1-[4-(4-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065549
1-[4-(2,4-Dimethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065552
5-Methyl-1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065555
1-[5-(5-Methylimidazol-1-yl)pent-3-yn-2-yl]pyrrolidin-2-one
CID 15065585
1-[4-(3,5-Dimethylimidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one iodide
CID 15065587
4-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-N,N-dimethylpiperidine-1-carboxamide
CID 110198117
N-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-methylpropanamide
CID 124048746
U 80816B
CID 188400
1-[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110198069
Cyclopropyl-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124046107

Frequently Asked Questions

What is the IUPAC name of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone (CID 110198065) is 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(Cc2ncc(C)n2C2CC2)C1.
What is the InChIKey of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
The InChIKey is OVISJHDAJGAIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O/c1-10-8-15-14(17(10)13-3-4-13)7-12-5-6-16(9-12)11(2)18/h8,12-13H,3-7,9H2,1-2H3.
What are the key properties of 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone?
1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone has a molecular weight of 247.34 g/mol, XLogP of 1.94, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 110198065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).