5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole

C8H13N3 — CID 10329450

IUPAC5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole
SMILESC[C@@H]1NCC[C@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyFLOJCNYYPGNYBP-NKWVEPMBSA-N
MW151.21 g/mol
LogP0.88
Rot. Bonds1

About 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole

5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole (PubChem CID 10329450) has the molecular formula C8H13N3 and a molecular weight of 151.21 g/mol. Its IUPAC name is 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole
PubChem CID10329450
Molecular FormulaC8H13N3
Molecular Weight151.21 g/mol
Exact Mass151.11
IUPAC Name5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole
SMILESC[C@@H]1NCC[C@H]1c1cnc[nH]1
InChIInChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m0/s1
InChIKeyFLOJCNYYPGNYBP-NKWVEPMBSA-N
XLogP0.88
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 ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-[(2S,3R)-2-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-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole?
The IUPAC name of 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole (CID 10329450) is 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole.
What is the SMILES notation for 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole?
The canonical SMILES for 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole is C[C@@H]1NCC[C@H]1c1cnc[nH]1.
What is the InChIKey of 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole?
The InChIKey is FLOJCNYYPGNYBP-NKWVEPMBSA-N. The full InChI is InChI=1S/C8H13N3/c1-6-7(2-3-10-6)8-4-9-5-11-8/h4-7,10H,2-3H2,1H3,(H,9,11)/t6-,7+/m0/s1.
What are the key properties of 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole?
5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole has a molecular weight of 151.21 g/mol, XLogP of 0.88, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S,3R)-2-methylpyrrolidin-3-yl]-1H-imidazole is sourced from PubChem (CID 10329450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).