5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline

C19H16F3N3 — CID 155344275

IUPAC5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESC=Cc1ccc(-c2cn(C)cn2)c(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H16F3N3/c1-3-13-7-8-16(18-11-25(2)12-23-18)17(9-13)24-15-6-4-5-14(10-15)19(20,21)22/h3-12,24H,1H2,2H3
InChIKeyXOUXDXMSVFMBOR-UHFFFAOYSA-N
MW343.35 g/mol
LogP5.49
Rot. Bonds4

About 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline

5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline (PubChem CID 155344275) has the molecular formula C19H16F3N3 and a molecular weight of 343.35 g/mol. Its IUPAC name is 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline.

Molecular Properties

Compound Name5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline
PubChem CID155344275
Molecular FormulaC19H16F3N3
Molecular Weight343.35 g/mol
Exact Mass343.13
IUPAC Name5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILESC=Cc1ccc(-c2cn(C)cn2)c(Nc2cccc(C(F)(F)F)c2)c1
InChIInChI=1S/C19H16F3N3/c1-3-13-7-8-16(18-11-25(2)12-23-18)17(9-13)24-15-6-4-5-14(10-15)19(20,21)22/h3-12,24H,1H2,2H3
InChIKeyXOUXDXMSVFMBOR-UHFFFAOYSA-N
XLogP5.49
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.35
LogP ≤ 55.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-ethenyl-5-methyl-N-[3-(trifluoromethyl)phenyl]pyridin-4-amine
CID 155344346
2-(1-ethylimidazol-4-yl)-4-(methylaminosulfanyl)-N-[3-(trifluoromethyl)phenyl]aniline
CID 142535036
6-ethenyl-N-[3-(trifluoromethyl)phenyl]pyridin-3-amine
CID 89261435
tert-butyl N-[5-ethenyl-2-(1-methylimidazol-4-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate
CID 163393583
1-methyl-N-[3-(trifluoromethyl)phenyl]pyrazol-4-amine
CID 159276710
2-[4-[2-[3-(trifluoromethyl)anilino]phenyl]triazol-1-yl]ethanol
CID 135372869
tert-butyl N-[5-ethenyl-2-(1-methylimidazol-4-yl)phenyl]-N-[[4-(trifluoromethyl)phenyl]methyl]carbamate;ethane
CID 163393827
4-ethylsulfonyl-2-(1-methylimidazol-4-yl)-N-[4-(trifluoromethyl)phenyl]aniline
CID 159363476
2-[3-[2-[3-(trifluoromethyl)anilino]phenyl]-1,2,4-triazol-1-yl]ethanol
CID 142468012
1-methyl-N-[3-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]imidazole-4-sulfonamide
CID 166206509
3-methyl-3-[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]pyrrolidine-2,4-dione
CID 174174053
1-[[3-(1-methylimidazol-4-yl)-4-[4-(trifluoromethyl)anilino]phenyl]methyl]imidazolidin-2-one
CID 170739668

Frequently Asked Questions

What is the IUPAC name of 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The IUPAC name of 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline (CID 155344275) is 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline.
What is the SMILES notation for 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The canonical SMILES for 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline is C=Cc1ccc(-c2cn(C)cn2)c(Nc2cccc(C(F)(F)F)c2)c1.
What is the InChIKey of 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
The InChIKey is XOUXDXMSVFMBOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3/c1-3-13-7-8-16(18-11-25(2)12-23-18)17(9-13)24-15-6-4-5-14(10-15)19(20,21)22/h3-12,24H,1H2,2H3.
What are the key properties of 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline?
5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline has a molecular weight of 343.35 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline is sourced from PubChem (CID 155344275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).