(Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine

C16H17F2N3O2S — CID 143009189

IUPAC(Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C\Cc1nc(C(F)F)cn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H17F2N3O2S/c1-19-10-4-3-5-15-20-14(16(17)18)11-21(15)12-6-8-13(9-7-12)24(2,22)23/h3-4,6-11,16H,5H2,1-2H3/b4-3-,19-10+
InChIKeyZOQHMDOHZXCXTL-URCZGXGVSA-N
MW353.39 g/mol
LogP3.01
Rot. Bonds6

About (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine

(Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine (PubChem CID 143009189) has the molecular formula C16H17F2N3O2S and a molecular weight of 353.39 g/mol. Its IUPAC name is (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine.

Molecular Properties

Compound Name(Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine
PubChem CID143009189
Molecular FormulaC16H17F2N3O2S
Molecular Weight353.39 g/mol
Exact Mass353.10
IUPAC Name(Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine
SMILESC/N=C/C=C\Cc1nc(C(F)F)cn1-c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C16H17F2N3O2S/c1-19-10-4-3-5-15-20-14(16(17)18)11-21(15)12-6-8-13(9-7-12)24(2,22)23/h3-4,6-11,16H,5H2,1-2H3/b4-3-,19-10+
InChIKeyZOQHMDOHZXCXTL-URCZGXGVSA-N
XLogP3.01
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.39
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine 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 (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine?
The IUPAC name of (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine (CID 143009189) is (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine.
What is the SMILES notation for (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine?
The canonical SMILES for (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine is C/N=C/C=C\Cc1nc(C(F)F)cn1-c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine?
The InChIKey is ZOQHMDOHZXCXTL-URCZGXGVSA-N. The full InChI is InChI=1S/C16H17F2N3O2S/c1-19-10-4-3-5-15-20-14(16(17)18)11-21(15)12-6-8-13(9-7-12)24(2,22)23/h3-4,6-11,16H,5H2,1-2H3/b4-3-,19-10+.
What are the key properties of (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine?
(Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine has a molecular weight of 353.39 g/mol, XLogP of 3.01, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-4-[4-(difluoromethyl)-1-(4-methylsulfonylphenyl)imidazol-2-yl]-N-methylbut-2-en-1-imine is sourced from PubChem (CID 143009189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).