4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride

C12H15Cl2N3 — CID 14064737

IUPAC4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
SMILESCN1c2cccc(Cl)c2CC1C1=NCCN1.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12;/h2-4,11H,5-7H2,1H3,(H,14,15);1H
InChIKeyLTWUMADNWAHYEQ-UHFFFAOYSA-N
MW272.18 g/mol
LogP2.12
Rot. Bonds1

About 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride

4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride (PubChem CID 14064737) has the molecular formula C12H15Cl2N3 and a molecular weight of 272.18 g/mol. Its IUPAC name is 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride.

Molecular Properties

Compound Name4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
PubChem CID14064737
Molecular FormulaC12H15Cl2N3
Molecular Weight272.18 g/mol
Exact Mass271.06
IUPAC Name4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride
SMILESCN1c2cccc(Cl)c2CC1C1=NCCN1.Cl
InChIInChI=1S/C12H14ClN3.ClH/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12;/h2-4,11H,5-7H2,1H3,(H,14,15);1H
InChIKeyLTWUMADNWAHYEQ-UHFFFAOYSA-N
XLogP2.12
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.18
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride 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 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
The IUPAC name of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride (CID 14064737) is 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride.
What is the SMILES notation for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
The canonical SMILES for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride is CN1c2cccc(Cl)c2CC1C1=NCCN1.Cl.
What is the InChIKey of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
The InChIKey is LTWUMADNWAHYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14ClN3.ClH/c1-16-10-4-2-3-9(13)8(10)7-11(16)12-14-5-6-15-12;/h2-4,11H,5-7H2,1H3,(H,14,15);1H.
What are the key properties of 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride?
4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride has a molecular weight of 272.18 g/mol, XLogP of 2.12, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4,5-dihydro-1H-imidazol-2-yl)-1-methyl-2,3-dihydroindole;hydrochloride is sourced from PubChem (CID 14064737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).