2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole

C25H17F3N2 — CID 21409543

IUPAC2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(C2(c3ncc[nH]3)C=Cc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H17F3N2/c26-25(27,28)19-11-9-18(10-12-19)24(23-29-15-16-30-23)14-13-17-5-1-2-6-20(17)21-7-3-4-8-22(21)24/h1-16H,(H,29,30)
InChIKeyZFZHRFOJSWXVAE-UHFFFAOYSA-N
MW402.42 g/mol
LogP6.46
Rot. Bonds2

About 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole

2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole (PubChem CID 21409543) has the molecular formula C25H17F3N2 and a molecular weight of 402.42 g/mol. Its IUPAC name is 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole.

Molecular Properties

Compound Name2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole
PubChem CID21409543
Molecular FormulaC25H17F3N2
Molecular Weight402.42 g/mol
Exact Mass402.13
IUPAC Name2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole
SMILESFC(F)(F)c1ccc(C2(c3ncc[nH]3)C=Cc3ccccc3-c3ccccc32)cc1
InChIInChI=1S/C25H17F3N2/c26-25(27,28)19-11-9-18(10-12-19)24(23-29-15-16-30-23)14-13-17-5-1-2-6-20(17)21-7-3-4-8-22(21)24/h1-16H,(H,29,30)
InChIKeyZFZHRFOJSWXVAE-UHFFFAOYSA-N
XLogP6.46
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500402.42
LogP ≤ 56.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole?
The IUPAC name of 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole (CID 21409543) is 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole.
What is the SMILES notation for 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole?
The canonical SMILES for 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole is FC(F)(F)c1ccc(C2(c3ncc[nH]3)C=Cc3ccccc3-c3ccccc32)cc1.
What is the InChIKey of 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole?
The InChIKey is ZFZHRFOJSWXVAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H17F3N2/c26-25(27,28)19-11-9-18(10-12-19)24(23-29-15-16-30-23)14-13-17-5-1-2-6-20(17)21-7-3-4-8-22(21)24/h1-16H,(H,29,30).
What are the key properties of 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole?
2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole has a molecular weight of 402.42 g/mol, XLogP of 6.46, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[8-[4-(trifluoromethyl)phenyl]-8-tricyclo[9.4.0.02,7]pentadeca-1(15),2,4,6,9,11,13-heptaenyl]-1H-imidazole is sourced from PubChem (CID 21409543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).