2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole

C11H10ClN3 — CID 83949417

IUPAC2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESClc1ccc(-c2nc3c([nH]2)CNC3)cc1
InChIInChI=1S/C11H10ClN3/c12-8-3-1-7(2-4-8)11-14-9-5-13-6-10(9)15-11/h1-4,13H,5-6H2,(H,14,15)
InChIKeyIDSKXTZPMDPHKI-UHFFFAOYSA-N
MW219.68 g/mol
LogP2.33
Rot. Bonds1

About 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole

2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (PubChem CID 83949417) has the molecular formula C11H10ClN3 and a molecular weight of 219.68 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
PubChem CID83949417
Molecular FormulaC11H10ClN3
Molecular Weight219.68 g/mol
Exact Mass219.06
IUPAC Name2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole
SMILESClc1ccc(-c2nc3c([nH]2)CNC3)cc1
InChIInChI=1S/C11H10ClN3/c12-8-3-1-7(2-4-8)11-14-9-5-13-6-10(9)15-11/h1-4,13H,5-6H2,(H,14,15)
InChIKeyIDSKXTZPMDPHKI-UHFFFAOYSA-N
XLogP2.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.68
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]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 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The IUPAC name of 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole (CID 83949417) is 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The canonical SMILES for 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole is Clc1ccc(-c2nc3c([nH]2)CNC3)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
The InChIKey is IDSKXTZPMDPHKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3/c12-8-3-1-7(2-4-8)11-14-9-5-13-6-10(9)15-11/h1-4,13H,5-6H2,(H,14,15).
What are the key properties of 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole?
2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole has a molecular weight of 219.68 g/mol, XLogP of 2.33, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,4,5,6-tetrahydropyrrolo[3,4-d]imidazole is sourced from PubChem (CID 83949417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).