2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride

C17H17ClFN3O — CID 171668604

IUPAC2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride
SMILESCc1cccc(NC2=NCC(=O)N2c2ccccc2F)c1C.Cl
InChIInChI=1S/C17H16FN3O.ClH/c1-11-6-5-8-14(12(11)2)20-17-19-10-16(22)21(17)15-9-4-3-7-13(15)18;/h3-9H,10H2,1-2H3,(H,19,20);1H
InChIKeyPGERNUJOHAEOFF-UHFFFAOYSA-N
MW333.79 g/mol
LogP3.68
Rot. Bonds2

About 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride

2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride (PubChem CID 171668604) has the molecular formula C17H17ClFN3O and a molecular weight of 333.79 g/mol. Its IUPAC name is 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride.

Molecular Properties

Compound Name2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride
PubChem CID171668604
Molecular FormulaC17H17ClFN3O
Molecular Weight333.79 g/mol
Exact Mass333.10
IUPAC Name2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride
SMILESCc1cccc(NC2=NCC(=O)N2c2ccccc2F)c1C.Cl
InChIInChI=1S/C17H16FN3O.ClH/c1-11-6-5-8-14(12(11)2)20-17-19-10-16(22)21(17)15-9-4-3-7-13(15)18;/h3-9H,10H2,1-2H3,(H,19,20);1H
InChIKeyPGERNUJOHAEOFF-UHFFFAOYSA-N
XLogP3.68
TPSA44.70 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.79
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride?
The IUPAC name of 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride (CID 171668604) is 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride.
What is the SMILES notation for 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride?
The canonical SMILES for 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride is Cc1cccc(NC2=NCC(=O)N2c2ccccc2F)c1C.Cl.
What is the InChIKey of 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride?
The InChIKey is PGERNUJOHAEOFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O.ClH/c1-11-6-5-8-14(12(11)2)20-17-19-10-16(22)21(17)15-9-4-3-7-13(15)18;/h3-9H,10H2,1-2H3,(H,19,20);1H.
What are the key properties of 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride?
2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride has a molecular weight of 333.79 g/mol, XLogP of 3.68, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dimethylanilino)-1-(2-fluorophenyl)-4H-imidazol-5-one;hydrochloride is sourced from PubChem (CID 171668604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).