2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole

C24H21FN4O2 — CID 70232889

IUPAC2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole
SMILESC=C(c1ccc(Oc2nccnc2C2(F)CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21FN4O2/c1-16(22-28-19-4-2-3-5-20(19)29-22)17-6-8-18(9-7-17)31-23-21(26-12-13-27-23)24(25)10-14-30-15-11-24/h2-9,12-13H,1,10-11,14-15H2,(H,28,29)
InChIKeyRULWRLIMNLIMRJ-UHFFFAOYSA-N
MW416.46 g/mol
LogP5.18
Rot. Bonds5

About 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole

2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole (PubChem CID 70232889) has the molecular formula C24H21FN4O2 and a molecular weight of 416.46 g/mol. Its IUPAC name is 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole
PubChem CID70232889
Molecular FormulaC24H21FN4O2
Molecular Weight416.46 g/mol
Exact Mass416.16
IUPAC Name2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole
SMILESC=C(c1ccc(Oc2nccnc2C2(F)CCOCC2)cc1)c1nc2ccccc2[nH]1
InChIInChI=1S/C24H21FN4O2/c1-16(22-28-19-4-2-3-5-20(19)29-22)17-6-8-18(9-7-17)31-23-21(26-12-13-27-23)24(25)10-14-30-15-11-24/h2-9,12-13H,1,10-11,14-15H2,(H,28,29)
InChIKeyRULWRLIMNLIMRJ-UHFFFAOYSA-N
XLogP5.18
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500416.46
LogP ≤ 55.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole?
The IUPAC name of 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole (CID 70232889) is 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole?
The canonical SMILES for 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole is C=C(c1ccc(Oc2nccnc2C2(F)CCOCC2)cc1)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole?
The InChIKey is RULWRLIMNLIMRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O2/c1-16(22-28-19-4-2-3-5-20(19)29-22)17-6-8-18(9-7-17)31-23-21(26-12-13-27-23)24(25)10-14-30-15-11-24/h2-9,12-13H,1,10-11,14-15H2,(H,28,29).
What are the key properties of 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole?
2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole has a molecular weight of 416.46 g/mol, XLogP of 5.18, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[4-[3-(4-fluorooxan-4-yl)pyrazin-2-yl]oxyphenyl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 70232889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).