2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole

C21H15F5N8 — CID 20811968

IUPAC2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(-n3nnnc3C(F)(F)F)ccc21
InChIInChI=1S/C21H15F5N8/c1-2-33-17-6-4-13(34-20(21(24,25)26)29-30-31-34)10-16(17)28-18(33)11-32-8-7-27-19(32)14-9-12(22)3-5-15(14)23/h3-10H,2,11H2,1H3
InChIKeyFOYBIEYNFWGASL-UHFFFAOYSA-N
MW474.40 g/mol
LogP4.24
Rot. Bonds5

About 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole

2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole (PubChem CID 20811968) has the molecular formula C21H15F5N8 and a molecular weight of 474.40 g/mol. Its IUPAC name is 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole.

Molecular Properties

Compound Name2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole
PubChem CID20811968
Molecular FormulaC21H15F5N8
Molecular Weight474.40 g/mol
Exact Mass474.13
IUPAC Name2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole
SMILESCCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(-n3nnnc3C(F)(F)F)ccc21
InChIInChI=1S/C21H15F5N8/c1-2-33-17-6-4-13(34-20(21(24,25)26)29-30-31-34)10-16(17)28-18(33)11-32-8-7-27-19(32)14-9-12(22)3-5-15(14)23/h3-10H,2,11H2,1H3
InChIKeyFOYBIEYNFWGASL-UHFFFAOYSA-N
XLogP4.24
TPSA79.24 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.40
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole?
The IUPAC name of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole (CID 20811968) is 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole.
What is the SMILES notation for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole?
The canonical SMILES for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole is CCn1c(Cn2ccnc2-c2cc(F)ccc2F)nc2cc(-n3nnnc3C(F)(F)F)ccc21.
What is the InChIKey of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole?
The InChIKey is FOYBIEYNFWGASL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F5N8/c1-2-33-17-6-4-13(34-20(21(24,25)26)29-30-31-34)10-16(17)28-18(33)11-32-8-7-27-19(32)14-9-12(22)3-5-15(14)23/h3-10H,2,11H2,1H3.
What are the key properties of 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole?
2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole has a molecular weight of 474.40 g/mol, XLogP of 4.24, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2,5-difluorophenyl)imidazol-1-yl]methyl]-1-ethyl-5-[5-(trifluoromethyl)tetrazol-1-yl]benzimidazole is sourced from PubChem (CID 20811968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).