4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole

C17H16N4O2S2 — CID 1298160

IUPAC4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole
SMILESCc1ccc2nsnc2c1S(=O)(=O)N1CCN=C1Cc1ccccc1
InChIInChI=1S/C17H16N4O2S2/c1-12-7-8-14-16(20-24-19-14)17(12)25(22,23)21-10-9-18-15(21)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyZYNUKOYPVSJYMR-UHFFFAOYSA-N
MW372.48 g/mol
LogP2.65
Rot. Bonds4

About 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole

4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole (PubChem CID 1298160) has the molecular formula C17H16N4O2S2 and a molecular weight of 372.48 g/mol. Its IUPAC name is 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole.

Molecular Properties

Compound Name4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole
PubChem CID1298160
Molecular FormulaC17H16N4O2S2
Molecular Weight372.48 g/mol
Exact Mass372.07
IUPAC Name4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole
SMILESCc1ccc2nsnc2c1S(=O)(=O)N1CCN=C1Cc1ccccc1
InChIInChI=1S/C17H16N4O2S2/c1-12-7-8-14-16(20-24-19-14)17(12)25(22,23)21-10-9-18-15(21)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3
InChIKeyZYNUKOYPVSJYMR-UHFFFAOYSA-N
XLogP2.65
TPSA75.52 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.48
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole?
The IUPAC name of 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole (CID 1298160) is 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole.
What is the SMILES notation for 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole?
The canonical SMILES for 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole is Cc1ccc2nsnc2c1S(=O)(=O)N1CCN=C1Cc1ccccc1.
What is the InChIKey of 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole?
The InChIKey is ZYNUKOYPVSJYMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O2S2/c1-12-7-8-14-16(20-24-19-14)17(12)25(22,23)21-10-9-18-15(21)11-13-5-3-2-4-6-13/h2-8H,9-11H2,1H3.
What are the key properties of 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole?
4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole has a molecular weight of 372.48 g/mol, XLogP of 2.65, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-benzyl-4,5-dihydroimidazol-1-yl)sulfonyl]-5-methyl-2,1,3-benzothiadiazole is sourced from PubChem (CID 1298160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).