4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide

C25H23F3N4O2S — CID 42819982

IUPAC4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2nccn2Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H23F3N4O2S/c1-19-7-9-23(10-8-19)35(33,34)32(17-21-5-3-11-29-15-21)18-24-30-12-13-31(24)16-20-4-2-6-22(14-20)25(26,27)28/h2-15H,16-18H2,1H3
InChIKeyMSHWAAFGJHMGNK-UHFFFAOYSA-N
MW500.55 g/mol
LogP5.04
Rot. Bonds8

About 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide

4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide (PubChem CID 42819982) has the molecular formula C25H23F3N4O2S and a molecular weight of 500.55 g/mol. Its IUPAC name is 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide
PubChem CID42819982
Molecular FormulaC25H23F3N4O2S
Molecular Weight500.55 g/mol
Exact Mass500.15
IUPAC Name4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2nccn2Cc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C25H23F3N4O2S/c1-19-7-9-23(10-8-19)35(33,34)32(17-21-5-3-11-29-15-21)18-24-30-12-13-31(24)16-20-4-2-6-22(14-20)25(26,27)28/h2-15H,16-18H2,1H3
InChIKeyMSHWAAFGJHMGNK-UHFFFAOYSA-N
XLogP5.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500500.55
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-1-[[3-(trifluoromethyl)phenyl]methyl]imidazole
CID 63811781
N-[2-(dimethylamino)ethyl]-4-methyl-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819855
4-fluoro-N-[(3-fluoro-5-methylphenyl)methyl]-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 19844946
N-cyclohexyl-N-[[1-[(3-methoxyphenyl)methyl]imidazol-2-yl]methyl]-4-methylbenzenesulfonamide
CID 42819974
1-[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]propan-2-amine
CID 63095821
4-methyl-N-(2-morpholin-4-ylethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819882
1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-amine
CID 60861273
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
N-[(6-oxo-5H-[1,3]dioxolo[4,5-g]quinolin-7-yl)methyl]-N-(pyridin-3-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 3184229
3-methoxy-N-(2-methoxyethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzamide
CID 42819848
3-ethyl-1-(2-methoxyethyl)-1-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]urea
CID 42819947
2-[2-[4-[[pyridin-3-ylmethyl-[4-[4-(trifluoromethyl)phenyl]phenyl]sulfonylamino]methyl]phenyl]phenyl]benzoic acid
CID 139944047

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide (CID 42819982) is 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)N(Cc2cccnc2)Cc2nccn2Cc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide?
The InChIKey is MSHWAAFGJHMGNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N4O2S/c1-19-7-9-23(10-8-19)35(33,34)32(17-21-5-3-11-29-15-21)18-24-30-12-13-31(24)16-20-4-2-6-22(14-20)25(26,27)28/h2-15H,16-18H2,1H3.
What are the key properties of 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide?
4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide has a molecular weight of 500.55 g/mol, XLogP of 5.04, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(pyridin-3-ylmethyl)-N-[[1-[[3-(trifluoromethyl)phenyl]methyl]imidazol-2-yl]methyl]benzenesulfonamide is sourced from PubChem (CID 42819982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).