5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole

C9H14FN3 — CID 84769121

IUPAC5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESFCc1cnc(CC2CCNC2)[nH]1
InChIInChI=1S/C9H14FN3/c10-4-8-6-12-9(13-8)3-7-1-2-11-5-7/h6-7,11H,1-5H2,(H,12,13)
InChIKeyWZWAYEMKQYQJFI-UHFFFAOYSA-N
MW183.23 g/mol
LogP1.03
Rot. Bonds3

About 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole

5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (PubChem CID 84769121) has the molecular formula C9H14FN3 and a molecular weight of 183.23 g/mol. Its IUPAC name is 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.

Molecular Properties

Compound Name5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
PubChem CID84769121
Molecular FormulaC9H14FN3
Molecular Weight183.23 g/mol
Exact Mass183.12
IUPAC Name5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
SMILESFCc1cnc(CC2CCNC2)[nH]1
InChIInChI=1S/C9H14FN3/c10-4-8-6-12-9(13-8)3-7-1-2-11-5-7/h6-7,11H,1-5H2,(H,12,13)
InChIKeyWZWAYEMKQYQJFI-UHFFFAOYSA-N
XLogP1.03
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-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-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The IUPAC name of 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole (CID 84769121) is 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole.
What is the SMILES notation for 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The canonical SMILES for 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is FCc1cnc(CC2CCNC2)[nH]1.
What is the InChIKey of 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
The InChIKey is WZWAYEMKQYQJFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14FN3/c10-4-8-6-12-9(13-8)3-7-1-2-11-5-7/h6-7,11H,1-5H2,(H,12,13).
What are the key properties of 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole?
5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole has a molecular weight of 183.23 g/mol, XLogP of 1.03, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(fluoromethyl)-2-(pyrrolidin-3-ylmethyl)-1H-imidazole is sourced from PubChem (CID 84769121), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).