3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one

C13H8F3N3O — CID 117208195

IUPAC3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n1-c1ccccn1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-4-5-9-10(7-8)19(12(20)18-9)11-3-1-2-6-17-11/h1-7H,(H,18,20)
InChIKeyPSTCVDDTZJEILC-UHFFFAOYSA-N
MW279.22 g/mol
LogP2.73
Rot. Bonds1

About 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one

3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one (PubChem CID 117208195) has the molecular formula C13H8F3N3O and a molecular weight of 279.22 g/mol. Its IUPAC name is 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
PubChem CID117208195
Molecular FormulaC13H8F3N3O
Molecular Weight279.22 g/mol
Exact Mass279.06
IUPAC Name3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccc(C(F)(F)F)cc2n1-c1ccccn1
InChIInChI=1S/C13H8F3N3O/c14-13(15,16)8-4-5-9-10(7-8)19(12(20)18-9)11-3-1-2-6-17-11/h1-7H,(H,18,20)
InChIKeyPSTCVDDTZJEILC-UHFFFAOYSA-N
XLogP2.73
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.22
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The IUPAC name of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one (CID 117208195) is 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one.
What is the SMILES notation for 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The canonical SMILES for 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one is O=c1[nH]c2ccc(C(F)(F)F)cc2n1-c1ccccn1.
What is the InChIKey of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
The InChIKey is PSTCVDDTZJEILC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3N3O/c14-13(15,16)8-4-5-9-10(7-8)19(12(20)18-9)11-3-1-2-6-17-11/h1-7H,(H,18,20).
What are the key properties of 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one?
3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one has a molecular weight of 279.22 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-2-yl-5-(trifluoromethyl)-1H-benzimidazol-2-one is sourced from PubChem (CID 117208195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).