4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine

C25H28N8O2 — CID 162647708

IUPAC4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine
SMILESc1cc(-c2nc3ccc(C4=NCCN4)cc3[nH]2)ccc1OCc1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C25H28N8O2/c1-4-21(35-17-20-16-33(31-30-20)10-9-32-11-13-34-14-12-32)5-2-18(1)25-28-22-6-3-19(15-23(22)29-25)24-26-7-8-27-24/h1-6,15-16H,7-14,17H2,(H,26,27)(H,28,29)
InChIKeyGIHZIAZBWGKZAJ-UHFFFAOYSA-N
MW472.55 g/mol
LogP2.08
Rot. Bonds8

About 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine

4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine (PubChem CID 162647708) has the molecular formula C25H28N8O2 and a molecular weight of 472.55 g/mol. Its IUPAC name is 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine.

Molecular Properties

Compound Name4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine
PubChem CID162647708
Molecular FormulaC25H28N8O2
Molecular Weight472.55 g/mol
Exact Mass472.23
IUPAC Name4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine
SMILESc1cc(-c2nc3ccc(C4=NCCN4)cc3[nH]2)ccc1OCc1cn(CCN2CCOCC2)nn1
InChIInChI=1S/C25H28N8O2/c1-4-21(35-17-20-16-33(31-30-20)10-9-32-11-13-34-14-12-32)5-2-18(1)25-28-22-6-3-19(15-23(22)29-25)24-26-7-8-27-24/h1-6,15-16H,7-14,17H2,(H,26,27)(H,28,29)
InChIKeyGIHZIAZBWGKZAJ-UHFFFAOYSA-N
XLogP2.08
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine?
The IUPAC name of 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine (CID 162647708) is 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine.
What is the SMILES notation for 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine?
The canonical SMILES for 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine is c1cc(-c2nc3ccc(C4=NCCN4)cc3[nH]2)ccc1OCc1cn(CCN2CCOCC2)nn1.
What is the InChIKey of 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine?
The InChIKey is GIHZIAZBWGKZAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N8O2/c1-4-21(35-17-20-16-33(31-30-20)10-9-32-11-13-34-14-12-32)5-2-18(1)25-28-22-6-3-19(15-23(22)29-25)24-26-7-8-27-24/h1-6,15-16H,7-14,17H2,(H,26,27)(H,28,29).
What are the key properties of 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine?
4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine has a molecular weight of 472.55 g/mol, XLogP of 2.08, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[4-[[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]ethyl]morpholine is sourced from PubChem (CID 162647708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).