5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine

C13H9F3N4 — CID 81455369

IUPAC5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)8-2-3-9-10(5-8)20-12(19-9)7-1-4-11(17)18-6-7/h1-6H,(H2,17,18)(H,19,20)
InChIKeyBPKLCEQQBIYQFD-UHFFFAOYSA-N
MW278.24 g/mol
LogP3.23
Rot. Bonds1

About 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine

5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine (PubChem CID 81455369) has the molecular formula C13H9F3N4 and a molecular weight of 278.24 g/mol. Its IUPAC name is 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine.

Molecular Properties

Compound Name5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
PubChem CID81455369
Molecular FormulaC13H9F3N4
Molecular Weight278.24 g/mol
Exact Mass278.08
IUPAC Name5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
SMILESNc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1
InChIInChI=1S/C13H9F3N4/c14-13(15,16)8-2-3-9-10(5-8)20-12(19-9)7-1-4-11(17)18-6-7/h1-6H,(H2,17,18)(H,19,20)
InChIKeyBPKLCEQQBIYQFD-UHFFFAOYSA-N
XLogP3.23
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.24
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine?
The IUPAC name of 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine (CID 81455369) is 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine.
What is the SMILES notation for 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine?
The canonical SMILES for 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine is Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cn1.
What is the InChIKey of 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine?
The InChIKey is BPKLCEQQBIYQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9F3N4/c14-13(15,16)8-2-3-9-10(5-8)20-12(19-9)7-1-4-11(17)18-6-7/h1-6H,(H2,17,18)(H,19,20).
What are the key properties of 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine?
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine has a molecular weight of 278.24 g/mol, XLogP of 3.23, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine is sourced from PubChem (CID 81455369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).