5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole

C17H31N3 — CID 139230539

IUPAC5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole
SMILESCCCCCc1nc(N2CCCC2)n(C)c1CCCC
InChIInChI=1S/C17H31N3/c1-4-6-8-11-15-16(12-7-5-2)19(3)17(18-15)20-13-9-10-14-20/h4-14H2,1-3H3
InChIKeyWQLSQWSKKMOTFF-UHFFFAOYSA-N
MW277.46 g/mol
LogP4.10
Rot. Bonds8

About 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole

5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole (PubChem CID 139230539) has the molecular formula C17H31N3 and a molecular weight of 277.46 g/mol. Its IUPAC name is 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole.

Molecular Properties

Compound Name5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole
PubChem CID139230539
Molecular FormulaC17H31N3
Molecular Weight277.46 g/mol
Exact Mass277.25
IUPAC Name5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole
SMILESCCCCCc1nc(N2CCCC2)n(C)c1CCCC
InChIInChI=1S/C17H31N3/c1-4-6-8-11-15-16(12-7-5-2)19(3)17(18-15)20-13-9-10-14-20/h4-14H2,1-3H3
InChIKeyWQLSQWSKKMOTFF-UHFFFAOYSA-N
XLogP4.10
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.46
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole 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 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole?
The IUPAC name of 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole (CID 139230539) is 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole.
What is the SMILES notation for 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole?
The canonical SMILES for 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole is CCCCCc1nc(N2CCCC2)n(C)c1CCCC.
What is the InChIKey of 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole?
The InChIKey is WQLSQWSKKMOTFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3/c1-4-6-8-11-15-16(12-7-5-2)19(3)17(18-15)20-13-9-10-14-20/h4-14H2,1-3H3.
What are the key properties of 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole?
5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole has a molecular weight of 277.46 g/mol, XLogP of 4.10, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-1-methyl-4-pentyl-2-pyrrolidin-1-ylimidazole is sourced from PubChem (CID 139230539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).