5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole

C21H19F2N5O — CID 53041046

IUPAC5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(F)c(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1
InChIInChI=1S/C21H19F2N5O/c22-15-4-5-17(23)16(12-15)21-25-20(26-29-21)14-3-6-19-18(11-14)24-13-28(19)10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10H2
InChIKeySWWIPPLWFANPFM-UHFFFAOYSA-N
MW395.41 g/mol
LogP4.13
Rot. Bonds5

About 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole

5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 53041046) has the molecular formula C21H19F2N5O and a molecular weight of 395.41 g/mol. Its IUPAC name is 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
PubChem CID53041046
Molecular FormulaC21H19F2N5O
Molecular Weight395.41 g/mol
Exact Mass395.16
IUPAC Name5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccc(F)c(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1
InChIInChI=1S/C21H19F2N5O/c22-15-4-5-17(23)16(12-15)21-25-20(26-29-21)14-3-6-19-18(11-14)24-13-28(19)10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10H2
InChIKeySWWIPPLWFANPFM-UHFFFAOYSA-N
XLogP4.13
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.41
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (CID 53041046) is 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is Fc1ccc(F)c(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1.
What is the InChIKey of 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is SWWIPPLWFANPFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19F2N5O/c22-15-4-5-17(23)16(12-15)21-25-20(26-29-21)14-3-6-19-18(11-14)24-13-28(19)10-9-27-7-1-2-8-27/h3-6,11-13H,1-2,7-10H2.
What are the key properties of 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 395.41 g/mol, XLogP of 4.13, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-difluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).