cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone

C17H27N3O — CID 110198076

IUPACcyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CCC3)C2)n1C(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)20-13(3)10-18-16(20)9-14-7-8-19(11-14)17(21)15-5-4-6-15/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyKWBLIVZZXITMRY-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.96
Rot. Bonds4

About cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone

cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (PubChem CID 110198076) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Namecyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
PubChem CID110198076
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Namecyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone
SMILESCc1cnc(CC2CCN(C(=O)C3CCC3)C2)n1C(C)C
InChIInChI=1S/C17H27N3O/c1-12(2)20-13(3)10-18-16(20)9-14-7-8-19(11-14)17(21)15-5-4-6-15/h10,12,14-15H,4-9,11H2,1-3H3
InChIKeyKWBLIVZZXITMRY-UHFFFAOYSA-N
XLogP2.96
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The IUPAC name of cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone (CID 110198076) is cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The canonical SMILES for cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is Cc1cnc(CC2CCN(C(=O)C3CCC3)C2)n1C(C)C.
What is the InChIKey of cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
The InChIKey is KWBLIVZZXITMRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-12(2)20-13(3)10-18-16(20)9-14-7-8-19(11-14)17(21)15-5-4-6-15/h10,12,14-15H,4-9,11H2,1-3H3.
What are the key properties of cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone?
cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone has a molecular weight of 289.42 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cyclobutyl-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 110198076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).