2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone

C14H23N3O — CID 58592883

IUPAC2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(CC(C)C)cn1CC(=O)N1CCCC1
InChIInChI=1S/C14H23N3O/c1-11(2)8-13-9-17(12(3)15-13)10-14(18)16-6-4-5-7-16/h9,11H,4-8,10H2,1-3H3
InChIKeyMJZDYDPXRNGGSS-UHFFFAOYSA-N
MW249.36 g/mol
LogP2.01
Rot. Bonds4

About 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone

2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone (PubChem CID 58592883) has the molecular formula C14H23N3O and a molecular weight of 249.36 g/mol. Its IUPAC name is 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone
PubChem CID58592883
Molecular FormulaC14H23N3O
Molecular Weight249.36 g/mol
Exact Mass249.18
IUPAC Name2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone
SMILESCc1nc(CC(C)C)cn1CC(=O)N1CCCC1
InChIInChI=1S/C14H23N3O/c1-11(2)8-13-9-17(12(3)15-13)10-14(18)16-6-4-5-7-16/h9,11H,4-8,10H2,1-3H3
InChIKeyMJZDYDPXRNGGSS-UHFFFAOYSA-N
XLogP2.01
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.36
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone 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 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone (CID 58592883) is 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone is Cc1nc(CC(C)C)cn1CC(=O)N1CCCC1.
What is the InChIKey of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
The InChIKey is MJZDYDPXRNGGSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O/c1-11(2)8-13-9-17(12(3)15-13)10-14(18)16-6-4-5-7-16/h9,11H,4-8,10H2,1-3H3.
What are the key properties of 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone?
2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone has a molecular weight of 249.36 g/mol, XLogP of 2.01, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-methyl-4-(2-methylpropyl)imidazol-1-yl]-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 58592883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).