2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole

Name: 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₁₀F₄N₂ — CID 141198507

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

IUPAC2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole

SMILESFc1c(C=Cc2nc3ccccc3[nH]2)cccc1C(F)(F)F

InChIInChI=1S/C16H10F4N2/c17-15-10(4-3-5-11(15)16(18,19)20)8-9-14-21-12-6-1-2-7-13(12)22-14/h1-9H,(H,21,22)

InChIKeyKBKNDNVNPQSQBC-UHFFFAOYSA-N

MW306.26 g/mol

LogP4.89

Rot. Bonds2

About 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole

2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole (PubChem CID 141198507) has the molecular formula C₁₆H₁₀F₄N₂ and a molecular weight of 306.26 g/mol. Its IUPAC name is 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name	2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
PubChem CID	141198507
Molecular Formula	C₁₆H₁₀F₄N₂
Molecular Weight	306.26 g/mol
Exact Mass	306.08
IUPAC Name	2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
SMILES	Fc1c(C=Cc2nc3ccccc3[nH]2)cccc1C(F)(F)F
InChI	InChI=1S/C16H10F4N2/c17-15-10(4-3-5-11(15)16(18,19)20)8-9-14-21-12-6-1-2-7-13(12)22-14/h1-9H,(H,21,22)
InChIKey	KBKNDNVNPQSQBC-UHFFFAOYSA-N
XLogP	4.89
TPSA	28.68 Å²
H-Bond Donors	1
H-Bond Acceptors	1
Rotatable Bonds	2
Heavy Atoms	22
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	306.26
LogP ≤ 5	4.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	1

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?

The IUPAC name of 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole (CID 141198507) is 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole.

What is the SMILES notation for 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?

The canonical SMILES for 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole is Fc1c(C=Cc2nc3ccccc3[nH]2)cccc1C(F)(F)F.

What is the InChIKey of 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?

The InChIKey is KBKNDNVNPQSQBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F4N2/c17-15-10(4-3-5-11(15)16(18,19)20)8-9-14-21-12-6-1-2-7-13(12)22-14/h1-9H,(H,21,22).

What are the key properties of 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?

2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole has a molecular weight of 306.26 g/mol, XLogP of 4.89, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 141198507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 141198507 — identifiers, structure, computed properties (public domain)

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