2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile

C13H6F3N5 — CID 135201677

IUPAC2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnnc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C13H6F3N5/c14-13(15,16)11-4-8(6-18-21-11)12-19-9-2-1-7(5-17)3-10(9)20-12/h1-4,6H,(H,19,20)
InChIKeyFXEZFMKWCHFZFR-UHFFFAOYSA-N
MW289.22 g/mol
LogP2.91
Rot. Bonds1

About 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile

2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile (PubChem CID 135201677) has the molecular formula C13H6F3N5 and a molecular weight of 289.22 g/mol. Its IUPAC name is 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile.

Molecular Properties

Compound Name2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile
PubChem CID135201677
Molecular FormulaC13H6F3N5
Molecular Weight289.22 g/mol
Exact Mass289.06
IUPAC Name2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile
SMILESN#Cc1ccc2nc(-c3cnnc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C13H6F3N5/c14-13(15,16)11-4-8(6-18-21-11)12-19-9-2-1-7(5-17)3-10(9)20-12/h1-4,6H,(H,19,20)
InChIKeyFXEZFMKWCHFZFR-UHFFFAOYSA-N
XLogP2.91
TPSA78.25 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.22
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
2-(3-bromo-4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 81488542
2-[4-(3-hydroxy-3-methylbut-1-ynyl)phenyl]-3H-benzimidazole-5-carbonitrile
CID 46992207
2-(2,4,6-trifluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004638
2-(4-phenoxyphenyl)-3H-benzimidazole-5-carbonitrile
CID 11209127
5-chloro-2-[6-(trifluoromethyl)pyridazin-4-yl]-1H-imidazo[4,5-b]pyridine
CID 135201262
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
4-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 19921448
2-(5-bromo-2-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 78908153
2-(2-bromo-5-fluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004192
2-[6-(4-cyanophenyl)-2-pyridinyl]-3H-benzimidazole-5-carbonitrile
CID 69437638

Frequently Asked Questions

What is the IUPAC name of 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile?
The IUPAC name of 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile (CID 135201677) is 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile.
What is the SMILES notation for 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile?
The canonical SMILES for 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile is N#Cc1ccc2nc(-c3cnnc(C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile?
The InChIKey is FXEZFMKWCHFZFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6F3N5/c14-13(15,16)11-4-8(6-18-21-11)12-19-9-2-1-7(5-17)3-10(9)20-12/h1-4,6H,(H,19,20).
What are the key properties of 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile?
2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile has a molecular weight of 289.22 g/mol, XLogP of 2.91, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(trifluoromethyl)pyridazin-4-yl]-3H-benzimidazole-5-carbonitrile is sourced from PubChem (CID 135201677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).