5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride

C12H15ClN2 — CID 71315842

IUPAC5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
SMILESCc1cccc(Cc2c[15n][13cH][15nH]2)c1C.Cl
InChIInChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H/i8+1,13+1,14+1;
InChIKeyOIWRDXKNDCJZSM-BGIYLATFSA-N
MW225.70 g/mol
LogP3.04
Rot. Bonds2

About 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride

5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride (PubChem CID 71315842) has the molecular formula C12H15ClN2 and a molecular weight of 225.70 g/mol. Its IUPAC name is 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride.

Molecular Properties

Compound Name5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
PubChem CID71315842
Molecular FormulaC12H15ClN2
Molecular Weight225.70 g/mol
Exact Mass225.09
IUPAC Name5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride
SMILESCc1cccc(Cc2c[15n][13cH][15nH]2)c1C.Cl
InChIInChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H/i8+1,13+1,14+1;
InChIKeyOIWRDXKNDCJZSM-BGIYLATFSA-N
XLogP3.04
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.70
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride?
The IUPAC name of 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride (CID 71315842) is 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride.
What is the SMILES notation for 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride?
The canonical SMILES for 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride is Cc1cccc(Cc2c[15n][13cH][15nH]2)c1C.Cl.
What is the InChIKey of 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride?
The InChIKey is OIWRDXKNDCJZSM-BGIYLATFSA-N. The full InChI is InChI=1S/C12H14N2.ClH/c1-9-4-3-5-11(10(9)2)6-12-7-13-8-14-12;/h3-5,7-8H,6H2,1-2H3,(H,13,14);1H/i8+1,13+1,14+1;.
What are the key properties of 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride?
5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride has a molecular weight of 225.70 g/mol, XLogP of 3.04, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3-dimethylphenyl)methyl]-(213C,1,3-15N2)1H-imidazole;hydrochloride is sourced from PubChem (CID 71315842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).