2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride

C12H13ClN2O — CID 50988132

IUPAC2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1C(=O)Cc1ncc[nH]1.Cl
InChIInChI=1S/C12H12N2O.ClH/c1-9-4-2-3-5-10(9)11(15)8-12-13-6-7-14-12;/h2-7H,8H2,1H3,(H,13,14);1H
InChIKeyBOCQGSURVRLJKN-UHFFFAOYSA-N
MW236.70 g/mol
LogP2.57
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride

2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride (PubChem CID 50988132) has the molecular formula C12H13ClN2O and a molecular weight of 236.70 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
PubChem CID50988132
Molecular FormulaC12H13ClN2O
Molecular Weight236.70 g/mol
Exact Mass236.07
IUPAC Name2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride
SMILESCc1ccccc1C(=O)Cc1ncc[nH]1.Cl
InChIInChI=1S/C12H12N2O.ClH/c1-9-4-2-3-5-10(9)11(15)8-12-13-6-7-14-12;/h2-7H,8H2,1H3,(H,13,14);1H
InChIKeyBOCQGSURVRLJKN-UHFFFAOYSA-N
XLogP2.57
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.70
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride (CID 50988132) is 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride is Cc1ccccc1C(=O)Cc1ncc[nH]1.Cl.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride?
The InChIKey is BOCQGSURVRLJKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O.ClH/c1-9-4-2-3-5-10(9)11(15)8-12-13-6-7-14-12;/h2-7H,8H2,1H3,(H,13,14);1H.
What are the key properties of 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride?
2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride has a molecular weight of 236.70 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-yl)-1-(2-methylphenyl)ethanone;hydrochloride is sourced from PubChem (CID 50988132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).