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

C24H19ClFN5OS — CID 134371933

IUPAC4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3nccs3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)ccc(F)c12
InChIInChI=1S/C24H19ClFN5OS/c1-14-29-22-16(24-28-6-11-33-24)12-15(30-7-9-32-10-8-30)13-20(22)31(14)19-4-5-27-23-17(25)2-3-18(26)21(19)23/h2-6,11-13H,7-10H2,1H3
InChIKeyXKOIEDSNUCQFJI-UHFFFAOYSA-N
MW479.97 g/mol
LogP5.63
Rot. Bonds3

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

4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371933) has the molecular formula C24H19ClFN5OS and a molecular weight of 479.97 g/mol. Its IUPAC name is 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371933
Molecular FormulaC24H19ClFN5OS
Molecular Weight479.97 g/mol
Exact Mass479.10
IUPAC Name4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCc1nc2c(-c3nccs3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)ccc(F)c12
InChIInChI=1S/C24H19ClFN5OS/c1-14-29-22-16(24-28-6-11-33-24)12-15(30-7-9-32-10-8-30)13-20(22)31(14)19-4-5-27-23-17(25)2-3-18(26)21(19)23/h2-6,11-13H,7-10H2,1H3
InChIKeyXKOIEDSNUCQFJI-UHFFFAOYSA-N
XLogP5.63
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.97
LogP ≤ 55.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-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-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371933) is 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine is Cc1nc2c(-c3nccs3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)ccc(F)c12.
What is the InChIKey of 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is XKOIEDSNUCQFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19ClFN5OS/c1-14-29-22-16(24-28-6-11-33-24)12-15(30-7-9-32-10-8-30)13-20(22)31(14)19-4-5-27-23-17(25)2-3-18(26)21(19)23/h2-6,11-13H,7-10H2,1H3.
What are the key properties of 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 479.97 g/mol, XLogP of 5.63, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloro-5-fluoroquinolin-4-yl)-2-methyl-7-(1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).