N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine

C24H21F3N4O2S — CID 157460725

IUPACN-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3)cn2)c1
InChIInChI=1S/C24H21F3N4O2S/c1-2-34(32,33)19-9-10-21(30-23-11-8-18(13-28-23)24(25,26)27)20(12-19)22-15-31(16-29-22)14-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H,28,30)
InChIKeyBTWUFFIMGNGMPH-UHFFFAOYSA-N
MW486.52 g/mol
LogP5.55
Rot. Bonds7

About N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine

N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine (PubChem CID 157460725) has the molecular formula C24H21F3N4O2S and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

Compound NameN-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
PubChem CID157460725
Molecular FormulaC24H21F3N4O2S
Molecular Weight486.52 g/mol
Exact Mass486.13
IUPAC NameN-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
SMILESCCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3)cn2)c1
InChIInChI=1S/C24H21F3N4O2S/c1-2-34(32,33)19-9-10-21(30-23-11-8-18(13-28-23)24(25,26)27)20(12-19)22-15-31(16-29-22)14-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H,28,30)
InChIKeyBTWUFFIMGNGMPH-UHFFFAOYSA-N
XLogP5.55
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.52
LogP ≤ 55.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(1-methylimidazol-4-yl)-4-propan-2-ylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 163393892
4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 159363476
6-N-(3-ethylsulfonylphenyl)-4-N-[5-(trifluoromethyl)-2-pyridinyl]pyrimidine-4,6-diamine
CID 159988066
3-(6,6-dimethyl-5,7-dihydropyrrolo[1,2-a]imidazol-2-yl)-N-methyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 167308272
4-[[5-[cyclopropyloxy(difluoro)methyl]-2-pyridinyl]amino]-N-methyl-3-(1-methylimidazol-4-yl)benzenesulfonamide
CID 166161977
N-methyl-3-(1-methylimidazol-4-yl)-4-[[6-(trifluoromethyl)pyridazin-3-yl]amino]benzenesulfonamide
CID 155342881
N-methyl-3-(1-methylimidazol-4-yl)-4-[[3-methyl-5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 163393358
2-methyl-3-pyridin-2-yl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfonamide
CID 175707097
N-methyl-3-[1-(oxetan-3-yl)imidazol-4-yl]-N-propyl-4-[[5-(trifluoromethyl)-2-pyridinyl]amino]benzenesulfinamide
CID 164596026
N-[(4-methoxyphenyl)methyl]-N-methyl-3-(1-methylimidazol-4-yl)-4-[[5-(trifluoromethyl)pyrimidin-2-yl]amino]benzenesulfonamide
CID 155342855
4-propyl-N-[5-(trifluoromethyl)-2-pyridinyl]benzenesulfonamide
CID 112773266
N-[2-(aminomethyl)phenyl]-5-(trifluoromethyl)pyridin-2-amine
CID 63765889

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
The IUPAC name of N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine (CID 157460725) is N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine.
What is the SMILES notation for N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
The canonical SMILES for N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine is CCS(=O)(=O)c1ccc(Nc2ccc(C(F)(F)F)cn2)c(-c2cn(Cc3ccccc3)cn2)c1.
What is the InChIKey of N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
The InChIKey is BTWUFFIMGNGMPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F3N4O2S/c1-2-34(32,33)19-9-10-21(30-23-11-8-18(13-28-23)24(25,26)27)20(12-19)22-15-31(16-29-22)14-17-6-4-3-5-7-17/h3-13,15-16H,2,14H2,1H3,(H,28,30).
What are the key properties of N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine?
N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine has a molecular weight of 486.52 g/mol, XLogP of 5.55, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-benzylimidazol-4-yl)-4-ethylsulfonylphenyl]-5-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 157460725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).