2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile

C20H12F3N5O — CID 59326984

IUPAC2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(Nc3ccc(Oc4ncccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)
InChIKeyGAHCTGQCJXQYNK-UHFFFAOYSA-N
MW395.34 g/mol
LogP5.38
Rot. Bonds4

About 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile

2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile (PubChem CID 59326984) has the molecular formula C20H12F3N5O and a molecular weight of 395.34 g/mol. Its IUPAC name is 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile
PubChem CID59326984
Molecular FormulaC20H12F3N5O
Molecular Weight395.34 g/mol
Exact Mass395.10
IUPAC Name2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(Nc3ccc(Oc4ncccc4C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28)
InChIKeyGAHCTGQCJXQYNK-UHFFFAOYSA-N
XLogP5.38
TPSA86.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.34
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile (CID 59326984) is 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(Nc3ccc(Oc4ncccc4C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile?
The InChIKey is GAHCTGQCJXQYNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12F3N5O/c21-20(22,23)15-2-1-9-25-18(15)29-14-6-4-13(5-7-14)26-19-27-16-8-3-12(11-24)10-17(16)28-19/h1-10H,(H2,26,27,28).
What are the key properties of 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile?
2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile has a molecular weight of 395.34 g/mol, XLogP of 5.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]anilino]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 59326984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).