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

C12H16ClN3O2S — CID 15945708

IUPAC2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccccc1NC(=O)CSC1=NCCN1.Cl
InChIInChI=1S/C12H15N3O2S.ClH/c1-17-10-5-3-2-4-9(10)15-11(16)8-18-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyMSQMPMAIKFTQPC-UHFFFAOYSA-N
MW301.80 g/mol
LogP1.75
Rot. Bonds4

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

2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride (PubChem CID 15945708) has the molecular formula C12H16ClN3O2S and a molecular weight of 301.80 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride
PubChem CID15945708
Molecular FormulaC12H16ClN3O2S
Molecular Weight301.80 g/mol
Exact Mass301.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride
SMILESCOc1ccccc1NC(=O)CSC1=NCCN1.Cl
InChIInChI=1S/C12H15N3O2S.ClH/c1-17-10-5-3-2-4-9(10)15-11(16)8-18-12-13-6-7-14-12;/h2-5H,6-8H2,1H3,(H,13,14)(H,15,16);1H
InChIKeyMSQMPMAIKFTQPC-UHFFFAOYSA-N
XLogP1.75
TPSA62.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.80
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride (CID 15945708) is 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride is COc1ccccc1NC(=O)CSC1=NCCN1.Cl.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride?
The InChIKey is MSQMPMAIKFTQPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2S.ClH/c1-17-10-5-3-2-4-9(10)15-11(16)8-18-12-13-6-7-14-12;/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-(2-methoxyphenyl)acetamide;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride has a molecular weight of 301.80 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-N-(2-methoxyphenyl)acetamide;hydrochloride is sourced from PubChem (CID 15945708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).