5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

C19H11F5N4O — CID 11200581

IUPAC5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFc1cc2nc(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C19H11F5N4O/c20-12-8-15-16(9-13(12)21)28-18(27-15)26-14-5-2-6-25-17(14)29-11-4-1-3-10(7-11)19(22,23)24/h1-9H,(H2,26,27,28)
InChIKeyQRYCCYZFIIHDJV-UHFFFAOYSA-N
MW406.31 g/mol
LogP5.79
Rot. Bonds4

About 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine

5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (PubChem CID 11200581) has the molecular formula C19H11F5N4O and a molecular weight of 406.31 g/mol. Its IUPAC name is 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
PubChem CID11200581
Molecular FormulaC19H11F5N4O
Molecular Weight406.31 g/mol
Exact Mass406.09
IUPAC Name5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine
SMILESFc1cc2nc(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)[nH]c2cc1F
InChIInChI=1S/C19H11F5N4O/c20-12-8-15-16(9-13(12)21)28-18(27-15)26-14-5-2-6-25-17(14)29-11-4-1-3-10(7-11)19(22,23)24/h1-9H,(H2,26,27,28)
InChIKeyQRYCCYZFIIHDJV-UHFFFAOYSA-N
XLogP5.79
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.31
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The IUPAC name of 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine (CID 11200581) is 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine.
What is the SMILES notation for 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The canonical SMILES for 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is Fc1cc2nc(Nc3cccnc3Oc3cccc(C(F)(F)F)c3)[nH]c2cc1F.
What is the InChIKey of 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
The InChIKey is QRYCCYZFIIHDJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H11F5N4O/c20-12-8-15-16(9-13(12)21)28-18(27-15)26-14-5-2-6-25-17(14)29-11-4-1-3-10(7-11)19(22,23)24/h1-9H,(H2,26,27,28).
What are the key properties of 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine?
5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine has a molecular weight of 406.31 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-N-[2-[3-(trifluoromethyl)phenoxy]-3-pyridinyl]-1H-benzimidazol-2-amine is sourced from PubChem (CID 11200581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).