N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline

C19H18F3N3O2S — CID 10501652

IUPACN,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline
SMILESCN(C)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18F3N3O2S/c1-24(2)14-6-4-13(5-7-14)18-23-17(19(20,21)22)12-25(18)15-8-10-16(11-9-15)28(3,26)27/h4-12H,1-3H3
InChIKeyOASVGLRSLZXZIV-UHFFFAOYSA-N
MW409.43 g/mol
LogP4.03
Rot. Bonds4

About N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline

N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline (PubChem CID 10501652) has the molecular formula C19H18F3N3O2S and a molecular weight of 409.43 g/mol. Its IUPAC name is N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline
PubChem CID10501652
Molecular FormulaC19H18F3N3O2S
Molecular Weight409.43 g/mol
Exact Mass409.11
IUPAC NameN,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline
SMILESCN(C)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1
InChIInChI=1S/C19H18F3N3O2S/c1-24(2)14-6-4-13(5-7-14)18-23-17(19(20,21)22)12-25(18)15-8-10-16(11-9-15)28(3,26)27/h4-12H,1-3H3
InChIKeyOASVGLRSLZXZIV-UHFFFAOYSA-N
XLogP4.03
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.43
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline (CID 10501652) is N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline is CN(C)c1ccc(-c2nc(C(F)(F)F)cn2-c2ccc(S(C)(=O)=O)cc2)cc1.
What is the InChIKey of N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
The InChIKey is OASVGLRSLZXZIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2S/c1-24(2)14-6-4-13(5-7-14)18-23-17(19(20,21)22)12-25(18)15-8-10-16(11-9-15)28(3,26)27/h4-12H,1-3H3.
What are the key properties of N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline has a molecular weight of 409.43 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline is sourced from PubChem (CID 10501652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).