1-(1H-imidazol-2-yl)propan-1-one;hydrochloride

C6H9ClN2O — CID 55254807

IUPAC1-(1H-imidazol-2-yl)propan-1-one;hydrochloride
SMILESCCC(=O)c1ncc[nH]1.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-2-5(9)6-7-3-4-8-6;/h3-4H,2H2,1H3,(H,7,8);1H
InChIKeyDSVBRJBHXIILLT-UHFFFAOYSA-N
MW160.60 g/mol
LogP1.42
Rot. Bonds2

About 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride

1-(1H-imidazol-2-yl)propan-1-one;hydrochloride (PubChem CID 55254807) has the molecular formula C6H9ClN2O and a molecular weight of 160.60 g/mol. Its IUPAC name is 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride.

Molecular Properties

Compound Name1-(1H-imidazol-2-yl)propan-1-one;hydrochloride
PubChem CID55254807
Molecular FormulaC6H9ClN2O
Molecular Weight160.60 g/mol
Exact Mass160.04
IUPAC Name1-(1H-imidazol-2-yl)propan-1-one;hydrochloride
SMILESCCC(=O)c1ncc[nH]1.Cl
InChIInChI=1S/C6H8N2O.ClH/c1-2-5(9)6-7-3-4-8-6;/h3-4H,2H2,1H3,(H,7,8);1H
InChIKeyDSVBRJBHXIILLT-UHFFFAOYSA-N
XLogP1.42
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.60
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride?
The IUPAC name of 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride (CID 55254807) is 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride.
What is the SMILES notation for 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride?
The canonical SMILES for 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride is CCC(=O)c1ncc[nH]1.Cl.
What is the InChIKey of 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride?
The InChIKey is DSVBRJBHXIILLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O.ClH/c1-2-5(9)6-7-3-4-8-6;/h3-4H,2H2,1H3,(H,7,8);1H.
What are the key properties of 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride?
1-(1H-imidazol-2-yl)propan-1-one;hydrochloride has a molecular weight of 160.60 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-2-yl)propan-1-one;hydrochloride is sourced from PubChem (CID 55254807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).