5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole

C11H12ClN3 — CID 19691965

IUPAC5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole
SMILESClc1ccc2c(c1)CN(C1=NCCN1)C2
InChIInChI=1S/C11H12ClN3/c12-10-2-1-8-6-15(7-9(8)5-10)11-13-3-4-14-11/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyYGIRSJGKYBEKKR-UHFFFAOYSA-N
MW221.69 g/mol
LogP1.61
Rot. Bonds

About 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole

5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole (PubChem CID 19691965) has the molecular formula C11H12ClN3 and a molecular weight of 221.69 g/mol. Its IUPAC name is 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole.

Molecular Properties

Compound Name5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole
PubChem CID19691965
Molecular FormulaC11H12ClN3
Molecular Weight221.69 g/mol
Exact Mass221.07
IUPAC Name5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole
SMILESClc1ccc2c(c1)CN(C1=NCCN1)C2
InChIInChI=1S/C11H12ClN3/c12-10-2-1-8-6-15(7-9(8)5-10)11-13-3-4-14-11/h1-2,5H,3-4,6-7H2,(H,13,14)
InChIKeyYGIRSJGKYBEKKR-UHFFFAOYSA-N
XLogP1.61
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.69
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole 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-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole?
The IUPAC name of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole (CID 19691965) is 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole.
What is the SMILES notation for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole?
The canonical SMILES for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole is Clc1ccc2c(c1)CN(C1=NCCN1)C2.
What is the InChIKey of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole?
The InChIKey is YGIRSJGKYBEKKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClN3/c12-10-2-1-8-6-15(7-9(8)5-10)11-13-3-4-14-11/h1-2,5H,3-4,6-7H2,(H,13,14).
What are the key properties of 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole?
5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole has a molecular weight of 221.69 g/mol, XLogP of 1.61, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1,3-dihydroisoindole is sourced from PubChem (CID 19691965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).