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

C26H25ClN6O — CID 134371938

IUPAC4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc(C)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C26H25ClN6O/c1-3-24-31-26-19(21-15-29-16(2)30-21)13-17(32-9-11-34-12-10-32)14-23(26)33(24)22-7-8-28-25-18(22)5-4-6-20(25)27/h4-8,13-15H,3,9-12H2,1-2H3,(H,29,30)
InChIKeyODXCSOKKCWWXGX-UHFFFAOYSA-N
MW472.98 g/mol
LogP5.32
Rot. Bonds4

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

4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (PubChem CID 134371938) has the molecular formula C26H25ClN6O and a molecular weight of 472.98 g/mol. Its IUPAC name is 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.

Molecular Properties

Compound Name4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
PubChem CID134371938
Molecular FormulaC26H25ClN6O
Molecular Weight472.98 g/mol
Exact Mass472.18
IUPAC Name4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
SMILESCCc1nc2c(-c3cnc(C)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12
InChIInChI=1S/C26H25ClN6O/c1-3-24-31-26-19(21-15-29-16(2)30-21)13-17(32-9-11-34-12-10-32)14-23(26)33(24)22-7-8-28-25-18(22)5-4-6-20(25)27/h4-8,13-15H,3,9-12H2,1-2H3,(H,29,30)
InChIKeyODXCSOKKCWWXGX-UHFFFAOYSA-N
XLogP5.32
TPSA71.86 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.98
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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-[3-(8-chloroquinolin-4-yl)-2-methyl-7-(1H-pyrazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371941
4-[3-(8-chloroquinolin-4-yl)-7-(5-methyl-1H-1,2,4-triazol-3-yl)-2-pyridin-3-ylbenzimidazol-5-yl]morpholine
CID 134371748
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
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361785
4-[2-ethyl-3-(8-fluoro-2-methylquinolin-4-yl)-7-(1H-imidazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371905
[[amino-[1-(8-chloroquinolin-4-yl)-2-methyl-6-morpholin-4-ylbenzimidazol-4-yl]methylidene]amino]methylideneazanium
CID 142311530
1-(8-chloroquinolin-4-yl)-2-(1-methoxyethyl)-6-morpholin-4-ylbenzimidazole-4-carboxylic acid
CID 134362175
1-(8-chloroquinolin-4-yl)-2-(1-methylcyclopropyl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134362194
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-N'-methanimidoyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311504
methyl 1-(8-chloroquinolin-4-yl)-6-morpholin-4-yl-2-(1,3-thiazol-5-yl)benzimidazole-4-carboxylate
CID 134361788

Frequently Asked Questions

What is the IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The IUPAC name of 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine (CID 134371938) is 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine.
What is the SMILES notation for 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The canonical SMILES for 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is CCc1nc2c(-c3cnc(C)[nH]3)cc(N3CCOCC3)cc2n1-c1ccnc2c(Cl)cccc12.
What is the InChIKey of 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
The InChIKey is ODXCSOKKCWWXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN6O/c1-3-24-31-26-19(21-15-29-16(2)30-21)13-17(32-9-11-34-12-10-32)14-23(26)33(24)22-7-8-28-25-18(22)5-4-6-20(25)27/h4-8,13-15H,3,9-12H2,1-2H3,(H,29,30).
What are the key properties of 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine?
4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine has a molecular weight of 472.98 g/mol, XLogP of 5.32, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(8-chloroquinolin-4-yl)-2-ethyl-7-(2-methyl-1H-imidazol-5-yl)benzimidazol-5-yl]morpholine is sourced from PubChem (CID 134371938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).