2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride

C11H11ClN2O — CID 22258221

IUPAC2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride
SMILESCl.O=C(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C11H10N2O.ClH/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9;/h1-7H,8H2,(H,12,13);1H
InChIKeyNKLVQCJYDKQJQE-UHFFFAOYSA-N
MW222.68 g/mol
LogP2.26
Rot. Bonds3

About 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride

2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride (PubChem CID 22258221) has the molecular formula C11H11ClN2O and a molecular weight of 222.68 g/mol. Its IUPAC name is 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride.

Molecular Properties

Compound Name2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride
PubChem CID22258221
Molecular FormulaC11H11ClN2O
Molecular Weight222.68 g/mol
Exact Mass222.06
IUPAC Name2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride
SMILESCl.O=C(Cc1ncc[nH]1)c1ccccc1
InChIInChI=1S/C11H10N2O.ClH/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9;/h1-7H,8H2,(H,12,13);1H
InChIKeyNKLVQCJYDKQJQE-UHFFFAOYSA-N
XLogP2.26
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.68
LogP ≤ 52.26
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-phenylethanone;hydrochloride?
The IUPAC name of 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride (CID 22258221) is 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride.
What is the SMILES notation for 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride?
The canonical SMILES for 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride is Cl.O=C(Cc1ncc[nH]1)c1ccccc1.
What is the InChIKey of 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride?
The InChIKey is NKLVQCJYDKQJQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O.ClH/c14-10(8-11-12-6-7-13-11)9-4-2-1-3-5-9;/h1-7H,8H2,(H,12,13);1H.
What are the key properties of 2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride?
2-(1H-imidazol-2-yl)-1-phenylethanone;hydrochloride has a molecular weight of 222.68 g/mol, XLogP of 2.26, 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-phenylethanone;hydrochloride is sourced from PubChem (CID 22258221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).