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

C26H24N10O — CID 134372029

IUPAC4-[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
SMILESCCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1c(-c2ncn[nH]2)cnc2ccccc12
InChIInChI=1S/C26H24N10O/c1-2-22-32-23-18(25-28-14-30-33-25)11-16(35-7-9-37-10-8-35)12-21(23)36(22)24-17-5-3-4-6-20(17)27-13-19(24)26-29-15-31-34-26/h3-6,11-15H,2,7-10H2,1H3,(H,28,30,33)(H,29,31,34)
InChIKeyIOUQXUZBGQVCOJ-UHFFFAOYSA-N
MW492.55 g/mol
LogP3.54
Rot. Bonds5

About 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

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 (PubChem CID 134372029) has the molecular formula C26H24N10O and a molecular weight of 492.55 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name4-[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
PubChem CID134372029
Molecular FormulaC26H24N10O
Molecular Weight492.55 g/mol
Exact Mass492.21
IUPAC Name4-[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
SMILESCCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1c(-c2ncn[nH]2)cnc2ccccc12
InChIInChI=1S/C26H24N10O/c1-2-22-32-23-18(25-28-14-30-33-25)11-16(35-7-9-37-10-8-35)12-21(23)36(22)24-17-5-3-4-6-20(17)27-13-19(24)26-29-15-31-34-26/h3-6,11-15H,2,7-10H2,1H3,(H,28,30,33)(H,29,31,34)
InChIKeyIOUQXUZBGQVCOJ-UHFFFAOYSA-N
XLogP3.54
TPSA126.32 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.55
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 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 with MolForge

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Related Compounds

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-[2-methyl-3-(5-methylquinolin-4-yl)-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371818
4-[3-(5-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371788
4-[2-methyl-3-[2-(1H-pyrazol-4-yl)quinolin-4-yl]-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine;2,2,2-trifluoroacetic acid
CID 134361870
4-[3-(7-fluoroquinolin-4-yl)-2-methyl-7-(1H-1,2,4-triazol-5-yl)benzimidazol-5-yl]morpholine
CID 134371796
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
2-methyl-1-(3-methylquinolin-4-yl)-6-morpholin-4-ylbenzimidazole-4-carboxamide
CID 134361790
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
4-[2-ethyl-3-(8-fluoroquinolin-4-yl)-7-(4-methyl-1,3-thiazol-2-yl)benzimidazol-5-yl]morpholine
CID 134371926
1-(3,8-dichloroquinolin-4-yl)-2-ethyl-N'-methanimidoyl-6-morpholin-4-ylbenzimidazole-4-carboximidamide
CID 142311504

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CCc1nc2c(-c3ncn[nH]3)cc(N3CCOCC3)cc2n1-c1c(-c2ncn[nH]2)cnc2ccccc12.
What is the InChIKey of 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?
The InChIKey is IOUQXUZBGQVCOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N10O/c1-2-22-32-23-18(25-28-14-30-33-25)11-16(35-7-9-37-10-8-35)12-21(23)36(22)24-17-5-3-4-6-20(17)27-13-19(24)26-29-15-31-34-26/h3-6,11-15H,2,7-10H2,1H3,(H,28,30,33)(H,29,31,34).
What are the key properties of 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?
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 has a molecular weight of 492.55 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 134372029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).