3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole

C17H20FN5O — CID 71933837

IUPAC3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCCn1c(CN2CCCC2c2noc(C)n2)nc2cc(F)ccc21
InChIInChI=1S/C17H20FN5O/c1-3-23-14-7-6-12(18)9-13(14)20-16(23)10-22-8-4-5-15(22)17-19-11(2)24-21-17/h6-7,9,15H,3-5,8,10H2,1-2H3
InChIKeyRIEYRQRBKFBSKR-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.22
Rot. Bonds4

About 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole

3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole (PubChem CID 71933837) has the molecular formula C17H20FN5O and a molecular weight of 329.38 g/mol. Its IUPAC name is 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
PubChem CID71933837
Molecular FormulaC17H20FN5O
Molecular Weight329.38 g/mol
Exact Mass329.17
IUPAC Name3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole
SMILESCCn1c(CN2CCCC2c2noc(C)n2)nc2cc(F)ccc21
InChIInChI=1S/C17H20FN5O/c1-3-23-14-7-6-12(18)9-13(14)20-16(23)10-22-8-4-5-15(22)17-19-11(2)24-21-17/h6-7,9,15H,3-5,8,10H2,1-2H3
InChIKeyRIEYRQRBKFBSKR-UHFFFAOYSA-N
XLogP3.22
TPSA59.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole (CID 71933837) is 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole is CCn1c(CN2CCCC2c2noc(C)n2)nc2cc(F)ccc21.
What is the InChIKey of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is RIEYRQRBKFBSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN5O/c1-3-23-14-7-6-12(18)9-13(14)20-16(23)10-22-8-4-5-15(22)17-19-11(2)24-21-17/h6-7,9,15H,3-5,8,10H2,1-2H3.
What are the key properties of 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole?
3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 329.38 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-ethyl-5-fluorobenzimidazol-2-yl)methyl]pyrrolidin-2-yl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 71933837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).