1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole

C17H13F3N2 — CID 16996768

IUPAC1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)16-21-14-10-4-5-11-15(14)22(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyPAYSFXVLNMUDFO-RMKNXTFCSA-N
MW302.30 g/mol
LogP4.77
Rot. Bonds3

About 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole

1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole (PubChem CID 16996768) has the molecular formula C17H13F3N2 and a molecular weight of 302.30 g/mol. Its IUPAC name is 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole
PubChem CID16996768
Molecular FormulaC17H13F3N2
Molecular Weight302.30 g/mol
Exact Mass302.10
IUPAC Name1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccccc2n1C/C=C/c1ccccc1
InChIInChI=1S/C17H13F3N2/c18-17(19,20)16-21-14-10-4-5-11-15(14)22(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+
InChIKeyPAYSFXVLNMUDFO-RMKNXTFCSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.30
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-tert-butyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17000384
2-benzyl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16995564
2-benzhydryl-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 16987231
2-(4-chlorophenyl)-1-[(E)-3-phenylprop-2-enyl]benzimidazole
CID 17001023
N-(cinnamylideneamino)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 4027824
1-[(E)-3-phenylprop-2-enyl]-2-thiophen-2-ylbenzimidazole
CID 17000270
3-phenyl-1-[4-[[2-(trifluoromethyl)benzimidazol-1-yl]methyl]piperidin-1-yl]prop-2-en-1-one
CID 71961230
1-(3-phenylpropyl)-2-(trifluoromethyl)benzimidazole
CID 16996767
1-butyl-2-(trifluoromethyl)benzimidazole
CID 3746789
1-[(4-fluorophenyl)methyl]-2-(trifluoromethyl)benzimidazole
CID 1472616
4-[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]-1-[3-(trifluoromethyl)phenyl]pyrrolidin-2-one
CID 6200874
(Z)-3-phenyl-N-[[1-[(E)-3-phenylprop-2-enyl]benzimidazol-2-yl]methyl]prop-2-enamide
CID 16970796

Frequently Asked Questions

What is the IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole (CID 16996768) is 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccccc2n1C/C=C/c1ccccc1.
What is the InChIKey of 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole?
The InChIKey is PAYSFXVLNMUDFO-RMKNXTFCSA-N. The full InChI is InChI=1S/C17H13F3N2/c18-17(19,20)16-21-14-10-4-5-11-15(14)22(16)12-6-9-13-7-2-1-3-8-13/h1-11H,12H2/b9-6+.
What are the key properties of 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole?
1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole has a molecular weight of 302.30 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(E)-3-phenylprop-2-enyl]-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 16996768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).