3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole

C19H14F3N3O — CID 121293166

IUPAC3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2ccccc2C(F)(F)F)c2nc[nH]c2c1
InChIInChI=1S/C19H14F3N3O/c1-10-17(11(2)26-25-10)12-7-14(18-16(8-12)23-9-24-18)13-5-3-4-6-15(13)19(20,21)22/h3-9H,1-2H3,(H,23,24)
InChIKeyUQKTYIGSANESIU-UHFFFAOYSA-N
MW357.34 g/mol
LogP5.52
Rot. Bonds2

About 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole

3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole (PubChem CID 121293166) has the molecular formula C19H14F3N3O and a molecular weight of 357.34 g/mol. Its IUPAC name is 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole
PubChem CID121293166
Molecular FormulaC19H14F3N3O
Molecular Weight357.34 g/mol
Exact Mass357.11
IUPAC Name3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole
SMILESCc1noc(C)c1-c1cc(-c2ccccc2C(F)(F)F)c2nc[nH]c2c1
InChIInChI=1S/C19H14F3N3O/c1-10-17(11(2)26-25-10)12-7-14(18-16(8-12)23-9-24-18)13-5-3-4-6-15(13)19(20,21)22/h3-9H,1-2H3,(H,23,24)
InChIKeyUQKTYIGSANESIU-UHFFFAOYSA-N
XLogP5.52
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.34
LogP ≤ 55.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole (CID 121293166) is 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole is Cc1noc(C)c1-c1cc(-c2ccccc2C(F)(F)F)c2nc[nH]c2c1.
What is the InChIKey of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole?
The InChIKey is UQKTYIGSANESIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14F3N3O/c1-10-17(11(2)26-25-10)12-7-14(18-16(8-12)23-9-24-18)13-5-3-4-6-15(13)19(20,21)22/h3-9H,1-2H3,(H,23,24).
What are the key properties of 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole?
3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole has a molecular weight of 357.34 g/mol, XLogP of 5.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[7-[2-(trifluoromethyl)phenyl]-3H-benzimidazol-5-yl]-1,2-oxazole is sourced from PubChem (CID 121293166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).