5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride

C13H17ClN2 — CID 6918081

IUPAC5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
SMILESCc1cccc([C@H](C)c2cnc[nH]2)c1C.Cl
InChIInChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyVPNGEIHDPSLNMU-MERQFXBCSA-N
MW236.75 g/mol
LogP3.60
Rot. Bonds2

About 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride

5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride (PubChem CID 6918081) has the molecular formula C13H17ClN2 and a molecular weight of 236.75 g/mol. Its IUPAC name is 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
PubChem CID6918081
Molecular FormulaC13H17ClN2
Molecular Weight236.75 g/mol
Exact Mass236.11
IUPAC Name5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride
SMILESCc1cccc([C@H](C)c2cnc[nH]2)c1C.Cl
InChIInChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1
InChIKeyVPNGEIHDPSLNMU-MERQFXBCSA-N
XLogP3.60
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.75
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride?
The IUPAC name of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride (CID 6918081) is 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride is Cc1cccc([C@H](C)c2cnc[nH]2)c1C.Cl.
What is the InChIKey of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride?
The InChIKey is VPNGEIHDPSLNMU-MERQFXBCSA-N. The full InChI is InChI=1S/C13H16N2.ClH/c1-9-5-4-6-12(10(9)2)11(3)13-7-14-8-15-13;/h4-8,11H,1-3H3,(H,14,15);1H/t11-;/m0./s1.
What are the key properties of 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride?
5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride has a molecular weight of 236.75 g/mol, XLogP of 3.60, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-(2,3-dimethylphenyl)ethyl]-1H-imidazole;hydrochloride is sourced from PubChem (CID 6918081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).