2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride

C12H16ClN3OS — CID 12005924

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CSC2=NCCN2)cc1.Cl
InChIInChI=1S/C12H15N3OS.ClH/c1-9-2-4-10(5-3-9)15-11(16)8-17-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyLFLRHANNPUHTHU-UHFFFAOYSA-N
MW285.80 g/mol
LogP2.05
Rot. Bonds3

About 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride (PubChem CID 12005924) has the molecular formula C12H16ClN3OS and a molecular weight of 285.80 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride
PubChem CID12005924
Molecular FormulaC12H16ClN3OS
Molecular Weight285.80 g/mol
Exact Mass285.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride
SMILESCc1ccc(NC(=O)CSC2=NCCN2)cc1.Cl
InChIInChI=1S/C12H15N3OS.ClH/c1-9-2-4-10(5-3-9)15-11(16)8-17-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyLFLRHANNPUHTHU-UHFFFAOYSA-N
XLogP2.05
TPSA53.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.80
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride (CID 12005924) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride is Cc1ccc(NC(=O)CSC2=NCCN2)cc1.Cl.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride?
The InChIKey is LFLRHANNPUHTHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3OS.ClH/c1-9-2-4-10(5-3-9)15-11(16)8-17-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride has a molecular weight of 285.80 g/mol, XLogP of 2.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(4-methylphenyl)acetamide;hydrochloride is sourced from PubChem (CID 12005924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).