2-(2-phenylethyl)-1H-imidazole;hydrochloride

C11H13ClN2 — CID 67183879

IUPAC2-(2-phenylethyl)-1H-imidazole;hydrochloride
SMILESCl.c1ccc(CCc2ncc[nH]2)cc1
InChIInChI=1S/C11H12N2.ClH/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;/h1-5,8-9H,6-7H2,(H,12,13);1H
InChIKeyIDWAZZMPUNWPGK-UHFFFAOYSA-N
MW208.69 g/mol
LogP2.62
Rot. Bonds3

About 2-(2-phenylethyl)-1H-imidazole;hydrochloride

2-(2-phenylethyl)-1H-imidazole;hydrochloride (PubChem CID 67183879) has the molecular formula C11H13ClN2 and a molecular weight of 208.69 g/mol. Its IUPAC name is 2-(2-phenylethyl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(2-phenylethyl)-1H-imidazole;hydrochloride
PubChem CID67183879
Molecular FormulaC11H13ClN2
Molecular Weight208.69 g/mol
Exact Mass208.08
IUPAC Name2-(2-phenylethyl)-1H-imidazole;hydrochloride
SMILESCl.c1ccc(CCc2ncc[nH]2)cc1
InChIInChI=1S/C11H12N2.ClH/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;/h1-5,8-9H,6-7H2,(H,12,13);1H
InChIKeyIDWAZZMPUNWPGK-UHFFFAOYSA-N
XLogP2.62
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.69
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-phenylethyl)-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

Related Compounds

N-benzyl-2-(1H-imidazol-2-yl)-N-methylethanamine
CID 91213426
acetonitrile;2-benzyl-1H-imidazole
CID 23033706
2-benzyl-1H-imidazole;methanedithioic acid
CID 175933096
2-benzyl-1H-imidazole;iodic acid
CID 158114999
N-benzyl-N-(1H-imidazol-2-ylmethyl)aniline
CID 6603723
2-(1H-imidazol-2-yl)ethyl benzoate;hydrochloride
CID 67591450
3-(1H-imidazol-2-yl)propyl N'-(3-phenylpropyl)carbamimidothioate
CID 67642818
3-(1H-imidazol-2-yl)propanoic acid;dihydrochloride
CID 70511103
1-benzyl-3-[3-(1H-imidazol-2-yl)propyl]urea
CID 107653232
2-(1H-imidazol-2-yl)ethanol
CID 15016080
(1S)-N-[2-(1H-imidazol-2-yl)ethyl]-1-phenylethanamine
CID 167885469
3-benzyl-2-(1H-imidazol-2-ylmethyl)pyridine
CID 172839136

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethyl)-1H-imidazole;hydrochloride?
The IUPAC name of 2-(2-phenylethyl)-1H-imidazole;hydrochloride (CID 67183879) is 2-(2-phenylethyl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(2-phenylethyl)-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(2-phenylethyl)-1H-imidazole;hydrochloride is Cl.c1ccc(CCc2ncc[nH]2)cc1.
What is the InChIKey of 2-(2-phenylethyl)-1H-imidazole;hydrochloride?
The InChIKey is IDWAZZMPUNWPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2.ClH/c1-2-4-10(5-3-1)6-7-11-12-8-9-13-11;/h1-5,8-9H,6-7H2,(H,12,13);1H.
What are the key properties of 2-(2-phenylethyl)-1H-imidazole;hydrochloride?
2-(2-phenylethyl)-1H-imidazole;hydrochloride has a molecular weight of 208.69 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethyl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 67183879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).