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

C26H25FN6O — CID 134371905

IUPAC4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1cc(C)nc2c(F)cccc12
InChIInChI=1S/C26H25FN6O/c1-3-24-31-26-19(21-14-28-15-29-21)12-17(32-7-9-34-10-8-32)13-23(26)33(24)22-11-16(2)30-25-18(22)5-4-6-20(25)27/h4-6,11-15H,3,7-10H2,1-2H3,(H,28,29)
InChIKeyJHQVJDGJVFPJSM-UHFFFAOYSA-N
MW456.53 g/mol
LogP4.81
Rot. Bonds4

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

4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371905) has the molecular formula C26H25FN6O and a molecular weight of 456.53 g/mol. Its IUPAC name is 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
PubChem CID134371905
Molecular FormulaC26H25FN6O
Molecular Weight456.53 g/mol
Exact Mass456.21
IUPAC Name4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1cc(C)nc2c(F)cccc12
InChIInChI=1S/C26H25FN6O/c1-3-24-31-26-19(21-14-28-15-29-21)12-17(32-7-9-34-10-8-32)13-23(26)33(24)22-11-16(2)30-25-18(22)5-4-6-20(25)27/h4-6,11-15H,3,7-10H2,1-2H3,(H,28,29)
InChIKeyJHQVJDGJVFPJSM-UHFFFAOYSA-N
XLogP4.81
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.53
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)-2-methylbenzimidazol-5-yl]morpholine
CID 134371904
4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
CID 134371926
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-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371938
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-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
4-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
8-fluoro-2-methyl-4-piperazin-1-ylquinoline
CID 39732499
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
4-(2,8-dimethylquinolin-4-yl)morpholine
CID 71424846
methyl 1-(5-chloro-8-fluoroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxylate
CID 134362241
1-(8-fluoro-2,3-dimethylquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362081

Frequently Asked Questions

What is the IUPAC name of 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (CID 134371905) is 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3cnc[nH]3)cc(N3CCOCC3)cc2n1-c1cc(C)nc2c(F)cccc12.
What is the InChIKey of 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The InChIKey is JHQVJDGJVFPJSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25FN6O/c1-3-24-31-26-19(21-14-28-15-29-21)12-17(32-7-9-34-10-8-32)13-23(26)33(24)22-11-16(2)30-25-18(22)5-4-6-20(25)27/h4-6,11-15H,3,7-10H2,1-2H3,(H,28,29).
What are the key properties of 4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine has a molecular weight of 456.53 g/mol, XLogP of 4.81, 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-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).