4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

C23H17F2N5O2 — CID 134371927

IUPAC4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESFc1ccc(F)c2c(-n3cnc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C23H17F2N5O2/c24-16-1-2-17(25)22-20(16)18(3-4-26-22)30-13-28-21-15(23-27-5-8-32-23)11-14(12-19(21)30)29-6-9-31-10-7-29/h1-5,8,11-13H,6-7,9-10H2
InChIKeyYTCJEIBTRPVIMA-UHFFFAOYSA-N
MW433.42 g/mol
LogP4.34
Rot. Bonds3

About 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine

4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371927) has the molecular formula C23H17F2N5O2 and a molecular weight of 433.42 g/mol. Its IUPAC name is 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371927
Molecular FormulaC23H17F2N5O2
Molecular Weight433.42 g/mol
Exact Mass433.14
IUPAC Name4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESFc1ccc(F)c2c(-n3cnc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C23H17F2N5O2/c24-16-1-2-17(25)22-20(16)18(3-4-26-22)30-13-28-21-15(23-27-5-8-32-23)11-14(12-19(21)30)29-6-9-31-10-7-29/h1-5,8,11-13H,6-7,9-10H2
InChIKeyYTCJEIBTRPVIMA-UHFFFAOYSA-N
XLogP4.34
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.42
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371927) is 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is Fc1ccc(F)c2c(-n3cnc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12.
What is the InChIKey of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is YTCJEIBTRPVIMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F2N5O2/c24-16-1-2-17(25)22-20(16)18(3-4-26-22)30-13-28-21-15(23-27-5-8-32-23)11-14(12-19(21)30)29-6-9-31-10-7-29/h1-5,8,11-13H,6-7,9-10H2.
What are the key properties of 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 433.42 g/mol, XLogP of 4.34, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(5,8-difluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).