4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile

C15H8F3N3 — CID 112730245

IUPAC4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)11-5-6-12-13(7-11)21-14(20-12)10-3-1-9(8-19)2-4-10/h1-7H,(H,20,21)
InChIKeyPGNXRUNAYYLTCX-UHFFFAOYSA-N
MW287.24 g/mol
LogP4.12
Rot. Bonds1

About 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile

4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile (PubChem CID 112730245) has the molecular formula C15H8F3N3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile.

Molecular Properties

Compound Name4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
PubChem CID112730245
Molecular FormulaC15H8F3N3
Molecular Weight287.24 g/mol
Exact Mass287.07
IUPAC Name4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
SMILESN#Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C15H8F3N3/c16-15(17,18)11-5-6-12-13(7-11)21-14(20-12)10-3-1-9(8-19)2-4-10/h1-7H,(H,20,21)
InChIKeyPGNXRUNAYYLTCX-UHFFFAOYSA-N
XLogP4.12
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile?
The IUPAC name of 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile (CID 112730245) is 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile.
What is the SMILES notation for 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile?
The canonical SMILES for 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile is N#Cc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile?
The InChIKey is PGNXRUNAYYLTCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H8F3N3/c16-15(17,18)11-5-6-12-13(7-11)21-14(20-12)10-3-1-9(8-19)2-4-10/h1-7H,(H,20,21).
What are the key properties of 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile?
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile has a molecular weight of 287.24 g/mol, XLogP of 4.12, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile is sourced from PubChem (CID 112730245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).