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

C21H20FN5O — CID 53041042

IUPAC5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1
InChIInChI=1S/C21H20FN5O/c22-17-5-3-4-16(12-17)21-24-20(25-28-21)15-6-7-19-18(13-15)23-14-27(19)11-10-26-8-1-2-9-26/h3-7,12-14H,1-2,8-11H2
InChIKeyPYUSLFPFDUCHOH-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.99
Rot. Bonds5

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

5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 53041042) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
PubChem CID53041042
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1
InChIInChI=1S/C21H20FN5O/c22-17-5-3-4-16(12-17)21-24-20(25-28-21)15-6-7-19-18(13-15)23-14-27(19)11-10-26-8-1-2-9-26/h3-7,12-14H,1-2,8-11H2
InChIKeyPYUSLFPFDUCHOH-UHFFFAOYSA-N
XLogP3.99
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.42
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (CID 53041042) is 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is Fc1cccc(-c2nc(-c3ccc4c(c3)ncn4CCN3CCCC3)no2)c1.
What is the InChIKey of 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is PYUSLFPFDUCHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-5-3-4-16(12-17)21-24-20(25-28-21)15-6-7-19-18(13-15)23-14-27(19)11-10-26-8-1-2-9-26/h3-7,12-14H,1-2,8-11H2.
What are the key properties of 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 377.42 g/mol, XLogP of 3.99, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).