6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole

C14H8ClF3N2 — CID 83450606

IUPAC6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C14H8ClF3N2/c15-9-6-7-11-12(8-9)20(10-4-2-1-3-5-10)13(19-11)14(16,17)18/h1-8H
InChIKeyDOUPRDXXXDORJV-UHFFFAOYSA-N
MW296.68 g/mol
LogP4.70
Rot. Bonds1

About 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole

6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole (PubChem CID 83450606) has the molecular formula C14H8ClF3N2 and a molecular weight of 296.68 g/mol. Its IUPAC name is 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole.

Molecular Properties

Compound Name6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
PubChem CID83450606
Molecular FormulaC14H8ClF3N2
Molecular Weight296.68 g/mol
Exact Mass296.03
IUPAC Name6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole
SMILESFC(F)(F)c1nc2ccc(Cl)cc2n1-c1ccccc1
InChIInChI=1S/C14H8ClF3N2/c15-9-6-7-11-12(8-9)20(10-4-2-1-3-5-10)13(19-11)14(16,17)18/h1-8H
InChIKeyDOUPRDXXXDORJV-UHFFFAOYSA-N
XLogP4.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.68
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole?
The IUPAC name of 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole (CID 83450606) is 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole.
What is the SMILES notation for 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole?
The canonical SMILES for 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole is FC(F)(F)c1nc2ccc(Cl)cc2n1-c1ccccc1.
What is the InChIKey of 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole?
The InChIKey is DOUPRDXXXDORJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8ClF3N2/c15-9-6-7-11-12(8-9)20(10-4-2-1-3-5-10)13(19-11)14(16,17)18/h1-8H.
What are the key properties of 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole?
6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole has a molecular weight of 296.68 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-1-phenyl-2-(trifluoromethyl)benzimidazole is sourced from PubChem (CID 83450606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).