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

C26H24FN5OS — CID 134371926

IUPAC4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3nc(C)cs3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C26H24FN5OS/c1-3-23-30-25-19(26-29-16(2)15-34-26)13-17(31-9-11-33-12-10-31)14-22(25)32(23)21-7-8-28-24-18(21)5-4-6-20(24)27/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyNIWRSLLTQPQMAK-UHFFFAOYSA-N
MW473.58 g/mol
LogP5.54
Rot. Bonds4

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

4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371926) has the molecular formula C26H24FN5OS and a molecular weight of 473.58 g/mol. Its IUPAC name is 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
PubChem CID134371926
Molecular FormulaC26H24FN5OS
Molecular Weight473.58 g/mol
Exact Mass473.17
IUPAC Name4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3nc(C)cs3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12
InChIInChI=1S/C26H24FN5OS/c1-3-23-30-25-19(26-29-16(2)15-34-26)13-17(31-9-11-33-12-10-31)14-22(25)32(23)21-7-8-28-24-18(21)5-4-6-20(24)27/h4-8,13-15H,3,9-12H2,1-2H3
InChIKeyNIWRSLLTQPQMAK-UHFFFAOYSA-N
XLogP5.54
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500473.58
LogP ≤ 55.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(5-methyl-1H-1,2,4-triazol-3-yl)benzimidazol-5-yl]morpholine
CID 134371864
4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371905
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371938
1-(6,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxylic acid
CID 134362089
methyl 1-(5-chloro-8-fluoroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362241
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
CID 134371904
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
1-(5,8-difluoroquinolin-4-yl)-6-morpholin-4-yl-2-propylbenzimidazole-4-carboxamide
CID 134361708
4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371788
4-[2-ethyl-7-(1H-1,2,4-triazol-5-yl)-3-[3-(1H-1,2,4-triazol-5-yl)quinolin-4-yl]benzimidazol-5-yl]morpholine
CID 134372029

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine (CID 134371926) is 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3nc(C)cs3)cc(N3CCOCC3)cc2n1-c1ccnc2c(F)cccc12.
What is the InChIKey of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
The InChIKey is NIWRSLLTQPQMAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN5OS/c1-3-23-30-25-19(26-29-16(2)15-34-26)13-17(31-9-11-33-12-10-31)14-22(25)32(23)21-7-8-28-24-18(21)5-4-6-20(24)27/h4-8,13-15H,3,9-12H2,1-2H3.
What are the key properties of 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine?
4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine has a molecular weight of 473.58 g/mol, XLogP of 5.54, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).