N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide

C18H17F3N4O2S — CID 20595893

IUPACN-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCN(c1cncc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1)S(C)(=O)=O
InChIInChI=1S/C18H17F3N4O2S/c1-24-11-16(12-5-4-6-14(7-12)18(19,20)21)23-17(24)13-8-15(10-22-9-13)25(2)28(3,26)27/h4-11H,1-3H3
InChIKeyHUZODEVXUGPOOA-UHFFFAOYSA-N
MW410.42 g/mol
LogP3.56
Rot. Bonds4

About N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide

N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide (PubChem CID 20595893) has the molecular formula C18H17F3N4O2S and a molecular weight of 410.42 g/mol. Its IUPAC name is N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide.

Molecular Properties

Compound NameN-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide
PubChem CID20595893
Molecular FormulaC18H17F3N4O2S
Molecular Weight410.42 g/mol
Exact Mass410.10
IUPAC NameN-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide
SMILESCN(c1cncc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1)S(C)(=O)=O
InChIInChI=1S/C18H17F3N4O2S/c1-24-11-16(12-5-4-6-14(7-12)18(19,20)21)23-17(24)13-8-15(10-22-9-13)25(2)28(3,26)27/h4-11H,1-3H3
InChIKeyHUZODEVXUGPOOA-UHFFFAOYSA-N
XLogP3.56
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.42
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-methylsulfonyl-4-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]piperazine
CID 20595837
N-methyl-N-[3-[4-[3-(trifluoromethyl)phenyl]-1-(2-trimethylsilylethoxymethyl)imidazol-2-yl]phenyl]ethanesulfonamide
CID 22969494
N,N,3-trimethyl-4-[3-(trifluoromethyl)phenyl]pyrazole-1-sulfonamide
CID 141138062
2,4-dimethyl-6-[3-(trifluoromethyl)phenyl]pyridine
CID 119015408
tert-butyl 1-methyl-2-[3-(trifluoromethyl)phenyl]imidazole-4-carboxylate
CID 155952572
5-[3-(trifluoromethyl)phenyl]pyridine-3-carbaldehyde
CID 24729811
8-methyl-2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-6-amine
CID 115910845
3-(3-methylphenyl)-5-(trifluoromethyl)pyridine
CID 59578611
N,N-dimethyl-3-(trifluoromethyl)-5-[3-(trifluoromethyl)phenyl]aniline
CID 118830034
4-(3-chlorophenyl)-1-methyl-N-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 156518197
1-pentyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-amine
CID 162673974
1-methyl-3-[3-(trifluoromethyl)phenyl]indole-6-carboxylic acid
CID 59625707

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide?
The IUPAC name of N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide (CID 20595893) is N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide.
What is the SMILES notation for N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide?
The canonical SMILES for N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide is CN(c1cncc(-c2nc(-c3cccc(C(F)(F)F)c3)cn2C)c1)S(C)(=O)=O.
What is the InChIKey of N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide?
The InChIKey is HUZODEVXUGPOOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O2S/c1-24-11-16(12-5-4-6-14(7-12)18(19,20)21)23-17(24)13-8-15(10-22-9-13)25(2)28(3,26)27/h4-11H,1-3H3.
What are the key properties of N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide?
N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide has a molecular weight of 410.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[5-[1-methyl-4-[3-(trifluoromethyl)phenyl]imidazol-2-yl]-3-pyridinyl]methanesulfonamide is sourced from PubChem (CID 20595893), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).