2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride

C14H21ClN2 — CID 66855168

IUPAC2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCC(C)c1ccc(C(C)C2=NCCN2)cc1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-10(2)12-4-6-13(7-5-12)11(3)14-15-8-9-16-14;/h4-7,10-11H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyWEAGLEIAJDJCJO-UHFFFAOYSA-N
MW252.79 g/mol
LogP3.34
Rot. Bonds3

About 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride

2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 66855168) has the molecular formula C14H21ClN2 and a molecular weight of 252.79 g/mol. Its IUPAC name is 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID66855168
Molecular FormulaC14H21ClN2
Molecular Weight252.79 g/mol
Exact Mass252.14
IUPAC Name2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCC(C)c1ccc(C(C)C2=NCCN2)cc1.Cl
InChIInChI=1S/C14H20N2.ClH/c1-10(2)12-4-6-13(7-5-12)11(3)14-15-8-9-16-14;/h4-7,10-11H,8-9H2,1-3H3,(H,15,16);1H
InChIKeyWEAGLEIAJDJCJO-UHFFFAOYSA-N
XLogP3.34
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.79
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;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 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride (CID 66855168) is 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride is CC(C)c1ccc(C(C)C2=NCCN2)cc1.Cl.
What is the InChIKey of 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is WEAGLEIAJDJCJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.ClH/c1-10(2)12-4-6-13(7-5-12)11(3)14-15-8-9-16-14;/h4-7,10-11H,8-9H2,1-3H3,(H,15,16);1H.
What are the key properties of 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride?
2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 252.79 g/mol, XLogP of 3.34, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-propan-2-ylphenyl)ethyl]-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 66855168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).