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

C19H17ClF3N3O2S — CID 10575260

IUPAC2-chloro-N,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)cc1Cl
InChIInChI=1S/C19H17ClF3N3O2S/c1-25(2)16-9-4-12(10-15(16)20)18-24-17(19(21,22)23)11-26(18)13-5-7-14(8-6-13)29(3,27)28/h4-11H,1-3H3
InChIKeyFSTKZHSQBMVHOZ-UHFFFAOYSA-N
MW443.88 g/mol
LogP4.68
Rot. Bonds4

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

2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline (PubChem CID 10575260) has the molecular formula C19H17ClF3N3O2S and a molecular weight of 443.88 g/mol. Its IUPAC name is 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline.

Molecular Properties

Compound Name2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline
PubChem CID10575260
Molecular FormulaC19H17ClF3N3O2S
Molecular Weight443.88 g/mol
Exact Mass443.07
IUPAC Name2-chloro-N,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)cc1Cl
InChIInChI=1S/C19H17ClF3N3O2S/c1-25(2)16-9-4-12(10-15(16)20)18-24-17(19(21,22)23)11-26(18)13-5-7-14(8-6-13)29(3,27)28/h4-11H,1-3H3
InChIKeyFSTKZHSQBMVHOZ-UHFFFAOYSA-N
XLogP4.68
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.88
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
The IUPAC name of 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline (CID 10575260) is 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline.
What is the SMILES notation for 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
The canonical SMILES for 2-chloro-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)cc1Cl.
What is the InChIKey of 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
The InChIKey is FSTKZHSQBMVHOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClF3N3O2S/c1-25(2)16-9-4-12(10-15(16)20)18-24-17(19(21,22)23)11-26(18)13-5-7-14(8-6-13)29(3,27)28/h4-11H,1-3H3.
What are the key properties of 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline?
2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline has a molecular weight of 443.88 g/mol, XLogP of 4.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,N-dimethyl-4-[1-(4-methylsulfonylphenyl)-4-(trifluoromethyl)imidazol-2-yl]aniline is sourced from PubChem (CID 10575260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).