4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine

C25H23FN6O — CID 134371902

IUPAC4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C25H23FN6O/c1-2-23-30-25-18(20-14-27-15-29-20)12-16(31-8-10-33-11-9-31)13-22(25)32(23)21-6-7-28-24-17(21)4-3-5-19(24)26/h3-7,12-15H,2,8-11H2,1H3,(H,27,29)
InChIKeyJGTFIMYCWPHWPL-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.50
Rot. Bonds4

About 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine

4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371902) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
PubChem CID134371902
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C25H23FN6O/c1-2-23-30-25-18(20-14-27-15-29-20)12-16(31-8-10-33-11-9-31)13-22(25)32(23)21-6-7-28-24-17(21)4-3-5-19(24)26/h3-7,12-15H,2,8-11H2,1H3,(H,27,29)
InChIKeyJGTFIMYCWPHWPL-UHFFFAOYSA-N
XLogP4.50
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-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-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (CID 134371902) is 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12.
What is the InChIKey of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The InChIKey is JGTFIMYCWPHWPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-2-23-30-25-18(20-14-27-15-29-20)12-16(31-8-10-33-11-9-31)13-22(25)32(23)21-6-7-28-24-17(21)4-3-5-19(24)26/h3-7,12-15H,2,8-11H2,1H3,(H,27,29).
What are the key properties of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine has a molecular weight of 442.50 g/mol, XLogP of 4.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).