XOUXDXMSVFMBOR-UHFFFAOYSA-N

Name: XOUXDXMSVFMBOR-UHFFFAOYSA-N — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₉H₁₆F₃N₃ — CID 155344275

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

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 XOUXDXMSVFMBOR-UHFFFAOYSA-N

XOUXDXMSVFMBOR-UHFFFAOYSA-N (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 Name	XOUXDXMSVFMBOR-UHFFFAOYSA-N
PubChem CID	155344275
Molecular Formula	C₁₉H₁₆F₃N₃
Molecular Weight	343.35 g/mol
Exact Mass	343.13
IUPAC Name	5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline
SMILES	C=Cc1ccc(-c2cn(C)cn2)c(Nc2cccc(C(F)(F)F)c2)c1
InChI	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
InChIKey	XOUXDXMSVFMBOR-UHFFFAOYSA-N
XLogP	5.49
TPSA	29.85 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	4
Heavy Atoms	25
Complexity	—

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	343.35
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of XOUXDXMSVFMBOR-UHFFFAOYSA-N?

The IUPAC name of XOUXDXMSVFMBOR-UHFFFAOYSA-N (CID 155344275) is 5-ethenyl-2-(1-methylimidazol-4-yl)-N-[3-(trifluoromethyl)phenyl]aniline.

What is the SMILES notation for XOUXDXMSVFMBOR-UHFFFAOYSA-N?

The canonical SMILES for XOUXDXMSVFMBOR-UHFFFAOYSA-N is C=Cc1ccc(-c2cn(C)cn2)c(Nc2cccc(C(F)(F)F)c2)c1.

What is the InChIKey of XOUXDXMSVFMBOR-UHFFFAOYSA-N?

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 XOUXDXMSVFMBOR-UHFFFAOYSA-N?

XOUXDXMSVFMBOR-UHFFFAOYSA-N 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 XOUXDXMSVFMBOR-UHFFFAOYSA-N is sourced from PubChem (CID 155344275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 155344275 — identifiers, structure, computed properties (public domain)

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