1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride

C11H14ClN3O — CID 24800161

IUPAC1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(NC2=NCCN2)cc1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8(15)9-2-4-10(5-3-9)14-11-12-6-7-13-11;/h2-5H,6-7H2,1H3,(H2,12,13,14);1H
InChIKeyKGDWSACMHOBJKG-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.68
Rot. Bonds2

About 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride

1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride (PubChem CID 24800161) has the molecular formula C11H14ClN3O and a molecular weight of 239.71 g/mol. Its IUPAC name is 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride.

Molecular Properties

Compound Name1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride
PubChem CID24800161
Molecular FormulaC11H14ClN3O
Molecular Weight239.71 g/mol
Exact Mass239.08
IUPAC Name1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride
SMILESCC(=O)c1ccc(NC2=NCCN2)cc1.Cl
InChIInChI=1S/C11H13N3O.ClH/c1-8(15)9-2-4-10(5-3-9)14-11-12-6-7-13-11;/h2-5H,6-7H2,1H3,(H2,12,13,14);1H
InChIKeyKGDWSACMHOBJKG-UHFFFAOYSA-N
XLogP1.68
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;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-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride?
The IUPAC name of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride (CID 24800161) is 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride.
What is the SMILES notation for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride?
The canonical SMILES for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride is CC(=O)c1ccc(NC2=NCCN2)cc1.Cl.
What is the InChIKey of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride?
The InChIKey is KGDWSACMHOBJKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O.ClH/c1-8(15)9-2-4-10(5-3-9)14-11-12-6-7-13-11;/h2-5H,6-7H2,1H3,(H2,12,13,14);1H.
What are the key properties of 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride?
1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride has a molecular weight of 239.71 g/mol, XLogP of 1.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(4,5-dihydro-1H-imidazol-2-ylamino)phenyl]ethanone;hydrochloride is sourced from PubChem (CID 24800161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).