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

C21H20FN5O — CID 53041032

IUPAC5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CCN2CCCC2)no1
InChIInChI=1S/C21H20FN5O/c22-17-6-2-1-5-16(17)21-24-20(25-28-21)15-7-8-19-18(13-15)23-14-27(19)12-11-26-9-3-4-10-26/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyKEQCTCWSNRJNEH-UHFFFAOYSA-N
MW377.42 g/mol
LogP3.99
Rot. Bonds5

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

5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (PubChem CID 53041032) has the molecular formula C21H20FN5O and a molecular weight of 377.42 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
PubChem CID53041032
Molecular FormulaC21H20FN5O
Molecular Weight377.42 g/mol
Exact Mass377.17
IUPAC Name5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole
SMILESFc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CCN2CCCC2)no1
InChIInChI=1S/C21H20FN5O/c22-17-6-2-1-5-16(17)21-24-20(25-28-21)15-7-8-19-18(13-15)23-14-27(19)12-11-26-9-3-4-10-26/h1-2,5-8,13-14H,3-4,9-12H2
InChIKeyKEQCTCWSNRJNEH-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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Related Compounds

5-[5-(4-Fluorophenyl)-1,2,4-oxadiazol-3-YL]-1-methyl-2,3-dihydro-1H-1,3-benzodiazol-2-one
CID 16031546
1-cyclopentyl-5-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1H-1,2,3-benzotriazole
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3-(3H-benzimidazol-5-yl)-5-[3,5-bis(trifluoromethyl)phenyl]-1,2,4-oxadiazole
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5-[9-[3-(5-fluoro-1H-benzimidazol-2-yl)propyl]-5,6,7,8-tetrahydrocarbazol-3-yl]-3-methyl-1,2,4-oxadiazole
CID 62705468
3-(3H-benzimidazol-5-yl)-5-(4-bromophenyl)-1,2,4-oxadiazole
CID 122180501
3-(3H-benzimidazol-5-yl)-5-(4-chlorophenyl)-1,2,4-oxadiazole
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3-(3H-benzimidazol-5-yl)-5-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazole
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3-(3H-benzimidazol-5-yl)-5-(3-chloro-4-fluorophenyl)-1,2,4-oxadiazole
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N-[4-(1-Benzyl-1H-benzimidazol-2-YL)-1,2,5-oxadiazol-3-YL]-4-fluorobenzamide
CID 1130340
5-{5-[4-(2-methylpiperidin-1-yl)-3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl}-1H-benzimidazole
CID 46829674
1-[5-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-(2-methylphenyl)phenyl]-N,N-dimethylmethanamine
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US10894784, Example 101.02
CID 137479127

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole (CID 53041032) is 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is Fc1ccccc1-c1nc(-c2ccc3c(c2)ncn3CCN2CCCC2)no1.
What is the InChIKey of 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is KEQCTCWSNRJNEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN5O/c22-17-6-2-1-5-16(17)21-24-20(25-28-21)15-7-8-19-18(13-15)23-14-27(19)12-11-26-9-3-4-10-26/h1-2,5-8,13-14H,3-4,9-12H2.
What are the key properties of 5-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole?
5-(2-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-(2-fluorophenyl)-3-[1-(2-pyrrolidin-1-ylethyl)benzimidazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 53041032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).