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

C26H22FN5O2 — CID 134371907

IUPAC4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESFc1cccc2c(-n3c(C4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C26H22FN5O2/c27-20-3-1-2-18-21(6-7-28-23(18)20)32-22-15-17(31-9-12-33-13-10-31)14-19(26-29-8-11-34-26)24(22)30-25(32)16-4-5-16/h1-3,6-8,11,14-16H,4-5,9-10,12-13H2
InChIKeyLJMMNGXNMJSXQC-UHFFFAOYSA-N
MW455.49 g/mol
LogP5.08
Rot. Bonds4

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

4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371907) has the molecular formula C26H22FN5O2 and a molecular weight of 455.49 g/mol. Its IUPAC name is 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371907
Molecular FormulaC26H22FN5O2
Molecular Weight455.49 g/mol
Exact Mass455.18
IUPAC Name4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine
SMILESFc1cccc2c(-n3c(C4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12
InChIInChI=1S/C26H22FN5O2/c27-20-3-1-2-18-21(6-7-28-23(18)20)32-22-15-17(31-9-12-33-13-10-31)14-19(26-29-8-11-34-26)24(22)30-25(32)16-4-5-16/h1-3,6-8,11,14-16H,4-5,9-10,12-13H2
InChIKeyLJMMNGXNMJSXQC-UHFFFAOYSA-N
XLogP5.08
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.49
LogP ≤ 55.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371907) is 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is Fc1cccc2c(-n3c(C4CC4)nc4c(-c5ncco5)cc(N5CCOCC5)cc43)ccnc12.
What is the InChIKey of 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is LJMMNGXNMJSXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22FN5O2/c27-20-3-1-2-18-21(6-7-28-23(18)20)32-22-15-17(31-9-12-33-13-10-31)14-19(26-29-8-11-34-26)24(22)30-25(32)16-4-5-16/h1-3,6-8,11,14-16H,4-5,9-10,12-13H2.
What are the key properties of 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine?
4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 455.49 g/mol, XLogP of 5.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-cyclopropyl-3-(8-fluoroquinolin-4-yl)-7-(1,3-oxazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).