4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile

C15H8F3N3 — CID 138526953

IUPAC4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(-n2cnc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)11-7-10(8-19)5-6-13(11)21-9-20-12-3-1-2-4-14(12)21/h1-7,9H
InChIKeyYNUIOOGPAOBHEF-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.92
Rot. Bonds1

About 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile

4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile (PubChem CID 138526953) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
PubChem CID138526953
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(-n2cnc3ccccc32)c(C(F)(F)F)c1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)11-7-10(8-19)5-6-13(11)21-9-20-12-3-1-2-4-14(12)21/h1-7,9H
InChIKeyYNUIOOGPAOBHEF-UHFFFAOYSA-N
XLogP3.92
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-bis(benzimidazol-1-yl)benzonitrile
CID 122546288
4-(2-phenylbenzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile
CID 134169784
2-(benzimidazol-1-yl)-4-chlorobenzonitrile
CID 55180235
1-[3-(benzimidazol-1-yl)-5-(trifluoromethyl)phenyl]benzimidazole
CID 58978587
6-(benzimidazol-1-yl)-9-(trifluoromethyl)pyrido[1,2-a]benzimidazole
CID 122229375
1-(2,6-difluorophenyl)benzimidazole-5-carbonitrile
CID 171652040
4-(5,6-dimethylbenzimidazol-1-yl)-3-fluorobenzonitrile
CID 43657383
4-(benzimidazol-1-yl)-2-chloro-N-(diaminomethylidene)-5-(trifluoromethyl)benzamide
CID 22996172
4-[3,6-bis(triphenyl-λ4-sulfanyl)carbazol-9-yl]-3-(trifluoromethyl)benzonitrile
CID 138645638
4-[2-[3-[4-carbazol-9-yl-3-(trifluoromethyl)phenyl]carbazol-9-yl]-5-cyanophenyl]-3-(trifluoromethyl)benzonitrile
CID 164744024
6-(benzimidazol-1-yl)-5-nitropyridine-3-carbonitrile
CID 103473415
4-(3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)-3-(trifluoromethyl)benzonitrile
CID 133327751

Frequently Asked Questions

What is the IUPAC name of 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile (CID 138526953) is 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile is N#Cc1ccc(-n2cnc3ccccc32)c(C(F)(F)F)c1.
What is the InChIKey of 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile?
The InChIKey is YNUIOOGPAOBHEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c16-15(17,18)11-7-10(8-19)5-6-13(11)21-9-20-12-3-1-2-4-14(12)21/h1-7,9H.
What are the key properties of 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile?
4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile has a molecular weight of 287.24 g/mol, XLogP of 3.92, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzimidazol-1-yl)-3-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 138526953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).