2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol

C22H15F3N2O — CID 67165651

IUPAC2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol
SMILESOc1ccccc1-c1ccc2nc(C=Cc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)16-9-5-14(6-10-16)7-12-21-26-18-11-8-15(13-19(18)27-21)17-3-1-2-4-20(17)28/h1-13,28H,(H,26,27)
InChIKeyGMNUCSBZMKQAAZ-UHFFFAOYSA-N
MW380.37 g/mol
LogP6.12
Rot. Bonds3

About 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol

2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol (PubChem CID 67165651) has the molecular formula C22H15F3N2O and a molecular weight of 380.37 g/mol. Its IUPAC name is 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol.

Molecular Properties

Compound Name2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol
PubChem CID67165651
Molecular FormulaC22H15F3N2O
Molecular Weight380.37 g/mol
Exact Mass380.11
IUPAC Name2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol
SMILESOc1ccccc1-c1ccc2nc(C=Cc3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C22H15F3N2O/c23-22(24,25)16-9-5-14(6-10-16)7-12-21-26-18-11-8-15(13-19(18)27-21)17-3-1-2-4-20(17)28/h1-13,28H,(H,26,27)
InChIKeyGMNUCSBZMKQAAZ-UHFFFAOYSA-N
XLogP6.12
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500380.37
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol?
The IUPAC name of 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol (CID 67165651) is 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol.
What is the SMILES notation for 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol?
The canonical SMILES for 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol is Oc1ccccc1-c1ccc2nc(C=Cc3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol?
The InChIKey is GMNUCSBZMKQAAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15F3N2O/c23-22(24,25)16-9-5-14(6-10-16)7-12-21-26-18-11-8-15(13-19(18)27-21)17-3-1-2-4-20(17)28/h1-13,28H,(H,26,27).
What are the key properties of 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol?
2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol has a molecular weight of 380.37 g/mol, XLogP of 6.12, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenol is sourced from PubChem (CID 67165651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).