2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole

C22H20FN7O — CID 20811991

IUPAC2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(-c3nnc(C)o3)ccc21
InChIInChI=1S/C22H20FN7O/c1-3-10-30-18-8-7-15(22-28-27-14(2)31-22)12-17(18)26-20(30)13-29-11-9-24-21(29)16-5-4-6-19(23)25-16/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyNWMSJHLJJQBCHS-UHFFFAOYSA-N
MW417.45 g/mol
LogP4.25
Rot. Bonds6

About 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole

2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole (PubChem CID 20811991) has the molecular formula C22H20FN7O and a molecular weight of 417.45 g/mol. Its IUPAC name is 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
PubChem CID20811991
Molecular FormulaC22H20FN7O
Molecular Weight417.45 g/mol
Exact Mass417.17
IUPAC Name2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole
SMILESCCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(-c3nnc(C)o3)ccc21
InChIInChI=1S/C22H20FN7O/c1-3-10-30-18-8-7-15(22-28-27-14(2)31-22)12-17(18)26-20(30)13-29-11-9-24-21(29)16-5-4-6-19(23)25-16/h4-9,11-12H,3,10,13H2,1-2H3
InChIKeyNWMSJHLJJQBCHS-UHFFFAOYSA-N
XLogP4.25
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.45
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole (CID 20811991) is 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole is CCCn1c(Cn2ccnc2-c2cccc(F)n2)nc2cc(-c3nnc(C)o3)ccc21.
What is the InChIKey of 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is NWMSJHLJJQBCHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN7O/c1-3-10-30-18-8-7-15(22-28-27-14(2)31-22)12-17(18)26-20(30)13-29-11-9-24-21(29)16-5-4-6-19(23)25-16/h4-9,11-12H,3,10,13H2,1-2H3.
What are the key properties of 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole?
2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 417.45 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[2-(6-fluoro-2-pyridinyl)imidazol-1-yl]methyl]-1-propylbenzimidazol-5-yl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 20811991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).