2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

C20H17FN4O — CID 142316071

IUPAC2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1cc(F)ccc1/C=C/c1nnc(Cn2c(C)nc3ccccc32)o1
InChIInChI=1S/C20H17FN4O/c1-13-11-16(21)9-7-15(13)8-10-19-23-24-20(26-19)12-25-14(2)22-17-5-3-4-6-18(17)25/h3-11H,12H2,1-2H3/b10-8+
InChIKeyYTLHJGZMCBMAGR-CSKARUKUSA-N
MW348.38 g/mol
LogP4.39
Rot. Bonds4

About 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole

2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 142316071) has the molecular formula C20H17FN4O and a molecular weight of 348.38 g/mol. Its IUPAC name is 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID142316071
Molecular FormulaC20H17FN4O
Molecular Weight348.38 g/mol
Exact Mass348.14
IUPAC Name2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole
SMILESCc1cc(F)ccc1/C=C/c1nnc(Cn2c(C)nc3ccccc32)o1
InChIInChI=1S/C20H17FN4O/c1-13-11-16(21)9-7-15(13)8-10-19-23-24-20(26-19)12-25-14(2)22-17-5-3-4-6-18(17)25/h3-11H,12H2,1-2H3/b10-8+
InChIKeyYTLHJGZMCBMAGR-CSKARUKUSA-N
XLogP4.39
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.38
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole (CID 142316071) is 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is Cc1cc(F)ccc1/C=C/c1nnc(Cn2c(C)nc3ccccc32)o1.
What is the InChIKey of 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is YTLHJGZMCBMAGR-CSKARUKUSA-N. The full InChI is InChI=1S/C20H17FN4O/c1-13-11-16(21)9-7-15(13)8-10-19-23-24-20(26-19)12-25-14(2)22-17-5-3-4-6-18(17)25/h3-11H,12H2,1-2H3/b10-8+.
What are the key properties of 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole?
2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 348.38 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-fluoro-2-methylphenyl)ethenyl]-5-[(2-methylbenzimidazol-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142316071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).