2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C26H19F2N7O — CID 22380335

IUPAC2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cc(F)ccc2F)nc2cc(-c3nnc(-c4ccncc4)o3)ccc21
InChIInChI=1S/C26H19F2N7O/c1-2-34-22-6-3-17(26-33-32-25(36-26)16-7-10-29-11-8-16)13-21(22)31-24(34)15-19-9-12-30-35(19)23-14-18(27)4-5-20(23)28/h3-14H,2,15H2,1H3
InChIKeyPUZQGDGZKWPFDE-UHFFFAOYSA-N
MW483.48 g/mol
LogP5.22
Rot. Bonds6

About 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 22380335) has the molecular formula C26H19F2N7O and a molecular weight of 483.48 g/mol. Its IUPAC name is 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID22380335
Molecular FormulaC26H19F2N7O
Molecular Weight483.48 g/mol
Exact Mass483.16
IUPAC Name2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESCCn1c(Cc2ccnn2-c2cc(F)ccc2F)nc2cc(-c3nnc(-c4ccncc4)o3)ccc21
InChIInChI=1S/C26H19F2N7O/c1-2-34-22-6-3-17(26-33-32-25(36-26)16-7-10-29-11-8-16)13-21(22)31-24(34)15-19-9-12-30-35(19)23-14-18(27)4-5-20(23)28/h3-14H,2,15H2,1H3
InChIKeyPUZQGDGZKWPFDE-UHFFFAOYSA-N
XLogP5.22
TPSA87.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.48
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 22380335) is 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is CCn1c(Cc2ccnn2-c2cc(F)ccc2F)nc2cc(-c3nnc(-c4ccncc4)o3)ccc21.
What is the InChIKey of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is PUZQGDGZKWPFDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19F2N7O/c1-2-34-22-6-3-17(26-33-32-25(36-26)16-7-10-29-11-8-16)13-21(22)31-24(34)15-19-9-12-30-35(19)23-14-18(27)4-5-20(23)28/h3-14H,2,15H2,1H3.
What are the key properties of 2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 483.48 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-[2-[[2-(2,5-difluorophenyl)pyrazol-3-yl]methyl]-1-ethylbenzimidazol-5-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 22380335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).