5-(4-methylpyrrolidin-3-yl)-1H-imidazole

C8H13N3 — CID 20777079

IUPAC5-(4-methylpyrrolidin-3-yl)-1H-imidazole
SMILESCC1CNCC1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)
InChIKeyKTEPQLOOQDLKHF-UHFFFAOYSA-N
MW151.21 g/mol
LogP0.73
Rot. Bonds1

About 5-(4-methylpyrrolidin-3-yl)-1H-imidazole

5-(4-methylpyrrolidin-3-yl)-1H-imidazole (PubChem CID 20777079) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-(4-methylpyrrolidin-3-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(4-methylpyrrolidin-3-yl)-1H-imidazole
PubChem CID20777079
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-(4-methylpyrrolidin-3-yl)-1H-imidazole
SMILESCC1CNCC1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11)
InChIKeyKTEPQLOOQDLKHF-UHFFFAOYSA-N
XLogP0.73
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500151.21
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(4-methylpyrrolidin-3-yl)-1H-imidazole 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-(4-methylpyrrolidin-3-yl)-1H-imidazole?
The IUPAC name of 5-(4-methylpyrrolidin-3-yl)-1H-imidazole (CID 20777079) is 5-(4-methylpyrrolidin-3-yl)-1H-imidazole.
What is the SMILES notation for 5-(4-methylpyrrolidin-3-yl)-1H-imidazole?
The canonical SMILES for 5-(4-methylpyrrolidin-3-yl)-1H-imidazole is CC1CNCC1c1cnc[nH]1.
What is the InChIKey of 5-(4-methylpyrrolidin-3-yl)-1H-imidazole?
The InChIKey is KTEPQLOOQDLKHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-2-9-3-7(6)8-4-10-5-11-8/h4-7,9H,2-3H2,1H3,(H,10,11).
What are the key properties of 5-(4-methylpyrrolidin-3-yl)-1H-imidazole?
5-(4-methylpyrrolidin-3-yl)-1H-imidazole has a molecular weight of 151.21 g/mol, XLogP of 0.73, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methylpyrrolidin-3-yl)-1H-imidazole is sourced from PubChem (CID 20777079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).