4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine

C25H23FN6O — CID 134371904

IUPAC4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1cc(-n2c(C)nc3c(-c4cnc[nH]4)cc(N4CCOCC4)cc32)c2cccc(F)c2n1
InChIInChI=1S/C25H23FN6O/c1-15-10-22(18-4-3-5-20(26)24(18)29-15)32-16(2)30-25-19(21-13-27-14-28-21)11-17(12-23(25)32)31-6-8-33-9-7-31/h3-5,10-14H,6-9H2,1-2H3,(H,27,28)
InChIKeyCEFZXPLIFBFARI-UHFFFAOYSA-N
MW442.50 g/mol
LogP4.56
Rot. Bonds3

About 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine

4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine (PubChem CID 134371904) has the molecular formula C25H23FN6O and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
PubChem CID134371904
Molecular FormulaC25H23FN6O
Molecular Weight442.50 g/mol
Exact Mass442.19
IUPAC Name4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
SMILESCc1cc(-n2c(C)nc3c(-c4cnc[nH]4)cc(N4CCOCC4)cc32)c2cccc(F)c2n1
InChIInChI=1S/C25H23FN6O/c1-15-10-22(18-4-3-5-20(26)24(18)29-15)32-16(2)30-25-19(21-13-27-14-28-21)11-17(12-23(25)32)31-6-8-33-9-7-31/h3-5,10-14H,6-9H2,1-2H3,(H,27,28)
InChIKeyCEFZXPLIFBFARI-UHFFFAOYSA-N
XLogP4.56
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081
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-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
CID 134371926
2-methyl-1-(8-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134361760
2-ethyl-1-(8-fluoroquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362182
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
methyl 1-(5-fluoroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362246
4-(2,8-dimethylquinolin-4-yl)morpholine
CID 71424846
4-[2-methyl-3-(2-piperazin-1-ylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134362130
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371938

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine (CID 134371904) is 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine is Cc1cc(-n2c(C)nc3c(-c4cnc[nH]4)cc(N4CCOCC4)cc32)c2cccc(F)c2n1.
What is the InChIKey of 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
The InChIKey is CEFZXPLIFBFARI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O/c1-15-10-22(18-4-3-5-20(26)24(18)29-15)32-16(2)30-25-19(21-13-27-14-28-21)11-17(12-23(25)32)31-6-8-33-9-7-31/h3-5,10-14H,6-9H2,1-2H3,(H,27,28).
What are the key properties of 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine?
4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine has a molecular weight of 442.50 g/mol, XLogP of 4.56, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).