1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole

C17H11F3N4 — CID 150367627

IUPAC1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole
SMILESFC(F)(F)c1[nH]c(-n2cnc3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)15-14(11-6-2-1-3-7-11)22-16(23-15)24-10-21-12-8-4-5-9-13(12)24/h1-10H,(H,22,23)
InChIKeyGXAZGKOLUWFPDE-UHFFFAOYSA-N
MW328.30 g/mol
LogP4.43
Rot. Bonds2

About 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole

1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole (PubChem CID 150367627) has the molecular formula C17H11F3N4 and a molecular weight of 328.30 g/mol. Its IUPAC name is 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole.

Molecular Properties

Compound Name1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole
PubChem CID150367627
Molecular FormulaC17H11F3N4
Molecular Weight328.30 g/mol
Exact Mass328.09
IUPAC Name1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole
SMILESFC(F)(F)c1[nH]c(-n2cnc3ccccc32)nc1-c1ccccc1
InChIInChI=1S/C17H11F3N4/c18-17(19,20)15-14(11-6-2-1-3-7-11)22-16(23-15)24-10-21-12-8-4-5-9-13(12)24/h1-10H,(H,22,23)
InChIKeyGXAZGKOLUWFPDE-UHFFFAOYSA-N
XLogP4.43
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.30
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole?
The IUPAC name of 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole (CID 150367627) is 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole.
What is the SMILES notation for 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole?
The canonical SMILES for 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole is FC(F)(F)c1[nH]c(-n2cnc3ccccc32)nc1-c1ccccc1.
What is the InChIKey of 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole?
The InChIKey is GXAZGKOLUWFPDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11F3N4/c18-17(19,20)15-14(11-6-2-1-3-7-11)22-16(23-15)24-10-21-12-8-4-5-9-13(12)24/h1-10H,(H,22,23).
What are the key properties of 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole?
1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole has a molecular weight of 328.30 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-phenyl-5-(trifluoromethyl)-1H-imidazol-2-yl]benzimidazole is sourced from PubChem (CID 150367627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).