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

C16H10F4N2 — CID 141198507

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 Name2-[2-[2-fluoro-3-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazole
PubChem CID141198507
Molecular FormulaC16H10F4N2
Molecular Weight306.26 g/mol
Exact Mass306.08
IUPAC Name2-[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
XLogP4.89
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.26
LogP ≤ 54.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-[2-(1H-benzimidazol-2-yl)ethenyl]phenol
CID 137201342
2-[(E)-2-(2,4-difluorophenyl)ethenyl]-1H-benzimidazole
CID 132567925
N-[2-fluoro-3-(trifluoromethyl)phenyl]-1H-benzimidazol-2-amine
CID 15602783
[(E)-2-(1H-benzimidazol-2-yl)ethenyl]phosphane
CID 20732162
2-[(Z)-prop-1-enyl]-1H-benzimidazole
CID 6166899
2-[2-[4-(trifluoromethylsulfanyl)phenyl]ethenyl]-1H-benzimidazole
CID 141198526
1-(cyclopropylidenemethyl)-2-fluoro-3-(trifluoromethyl)benzene
CID 163483259
2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 6048083
4-[2-(1H-benzimidazol-2-yl)ethenyl]aniline
CID 2749986
3-(1H-benzimidazol-2-yl)prop-2-enoic acid
CID 4702151
2-[(E)-2-(1H-benzimidazol-2-yl)ethenyl]-1,3-benzoxazole
CID 12820843
2-[2-[2-(2,3-difluorophenyl)ethenyl]-3H-benzimidazol-5-yl]benzenesulfonamide
CID 67165672

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).