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

C24H20FN5O2 — CID 134361690

IUPAC4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C24H20FN5O2/c1-15-28-23-18(24-27-7-10-32-24)13-16(29-8-11-31-12-9-29)14-21(23)30(15)20-5-6-26-22-17(20)3-2-4-19(22)25/h2-7,10,13-14H,8-9,11-12H2,1H3
InChIKeyXIURSBKCNAVSLP-UHFFFAOYSA-N
MW429.46 g/mol
LogP4.51
Rot. Bonds3

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

4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134361690) has the molecular formula C24H20FN5O2 and a molecular weight of 429.46 g/mol. Its IUPAC name is 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134361690
Molecular FormulaC24H20FN5O2
Molecular Weight429.46 g/mol
Exact Mass429.16
IUPAC Name4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C24H20FN5O2/c1-15-28-23-18(24-27-7-10-32-24)13-16(29-8-11-31-12-9-29)14-21(23)30(15)20-5-6-26-22-17(20)3-2-4-19(22)25/h2-7,10,13-14H,8-9,11-12H2,1H3
InChIKeyXIURSBKCNAVSLP-UHFFFAOYSA-N
XLogP4.51
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.46
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134361690) is 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is Cc1nc2c(-c3ncco3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12.
What is the InChIKey of 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is XIURSBKCNAVSLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN5O2/c1-15-28-23-18(24-27-7-10-32-24)13-16(29-8-11-31-12-9-29)14-21(23)30(15)20-5-6-26-22-17(20)3-2-4-19(22)25/h2-7,10,13-14H,8-9,11-12H2,1H3.
What are the key properties of 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 429.46 g/mol, XLogP of 4.51, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-fluoroquinolin-4-yl)-2-methyl-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134361690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).