2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

C26H20FN7O — CID 22380333

IUPAC2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3nnc(-c4cccnc4)o3)ccc21
InChIInChI=1S/C26H20FN7O/c1-2-34-22-9-8-18(25-31-32-26(35-25)19-6-4-10-28-15-19)14-21(22)30-23(34)16-33-12-11-29-24(33)17-5-3-7-20(27)13-17/h3-15H,2,16H2,1H3
InChIKeyQWLDWXQAQBEGGH-UHFFFAOYSA-N
MW465.49 g/mol
LogP5.22
Rot. Bonds6

About 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole

2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (PubChem CID 22380333) has the molecular formula C26H20FN7O and a molecular weight of 465.49 g/mol. Its IUPAC name is 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
PubChem CID22380333
Molecular FormulaC26H20FN7O
Molecular Weight465.49 g/mol
Exact Mass465.17
IUPAC Name2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole
SMILESCCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3nnc(-c4cccnc4)o3)ccc21
InChIInChI=1S/C26H20FN7O/c1-2-34-22-9-8-18(25-31-32-26(35-25)19-6-4-10-28-15-19)14-21(22)30-23(34)16-33-12-11-29-24(33)17-5-3-7-20(27)13-17/h3-15H,2,16H2,1H3
InChIKeyQWLDWXQAQBEGGH-UHFFFAOYSA-N
XLogP5.22
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole (CID 22380333) is 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is CCn1c(Cn2ccnc2-c2cccc(F)c2)nc2cc(-c3nnc(-c4cccnc4)o3)ccc21.
What is the InChIKey of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
The InChIKey is QWLDWXQAQBEGGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN7O/c1-2-34-22-9-8-18(25-31-32-26(35-25)19-6-4-10-28-15-19)14-21(22)30-23(34)16-33-12-11-29-24(33)17-5-3-7-20(27)13-17/h3-15H,2,16H2,1H3.
What are the key properties of 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole?
2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole has a molecular weight of 465.49 g/mol, XLogP of 5.22, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-ethyl-2-[[2-(3-fluorophenyl)imidazol-1-yl]methyl]benzimidazol-5-yl]-5-pyridin-3-yl-1,3,4-oxadiazole is sourced from PubChem (CID 22380333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).