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

C16H10ClF3N2 — CID 4837781

IUPAC2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(C=C(Cl)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H10ClF3N2/c17-12(15-21-13-6-1-2-7-14(13)22-15)9-10-4-3-5-11(8-10)16(18,19)20/h1-9H,(H,21,22)
InChIKeyBILFFKISJRMMBX-UHFFFAOYSA-N
MW322.72 g/mol
LogP5.32
Rot. Bonds2

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

2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole (PubChem CID 4837781) has the molecular formula C16H10ClF3N2 and a molecular weight of 322.72 g/mol. Its IUPAC name is 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
PubChem CID4837781
Molecular FormulaC16H10ClF3N2
Molecular Weight322.72 g/mol
Exact Mass322.05
IUPAC Name2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
SMILESFC(F)(F)c1cccc(C=C(Cl)c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H10ClF3N2/c17-12(15-21-13-6-1-2-7-14(13)22-15)9-10-4-3-5-11(8-10)16(18,19)20/h1-9H,(H,21,22)
InChIKeyBILFFKISJRMMBX-UHFFFAOYSA-N
XLogP5.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.72
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?
The IUPAC name of 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole (CID 4837781) is 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole is FC(F)(F)c1cccc(C=C(Cl)c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?
The InChIKey is BILFFKISJRMMBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10ClF3N2/c17-12(15-21-13-6-1-2-7-14(13)22-15)9-10-4-3-5-11(8-10)16(18,19)20/h1-9H,(H,21,22).
What are the key properties of 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole?
2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole has a molecular weight of 322.72 g/mol, XLogP of 5.32, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-chloro-2-[3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 4837781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).