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

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Related Compounds

4-[2-[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]ethyl]morpholine
CID 82248212
6-chloro-2-[5-[[4-[[4-[4-[[1-[[5-(6-chloro-1H-benzimidazol-2-yl)furan-2-yl]methyl]triazol-4-yl]methoxy]phenyl]phenoxy]methyl]triazol-1-yl]methyl]furan-2-yl]-1H-benzimidazole
CID 155558570
1-[1-[2-[[2-[4-[6-[2-[4-[(dimethylamino)methyl]triazol-1-yl]ethoxy]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]oxy]ethyl]triazol-4-yl]-N,N-dimethylmethanamine
CID 138649250
N-hydroxy-2-[4-(2-morpholin-4-ylethoxy)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690240
6-(4,5-dihydro-1H-imidazol-2-yl)-2-[2-(4,5-dihydro-1H-imidazol-2-yl)-1H-indol-6-yl]-1H-benzimidazole;hydrochloride
CID 54607896
4-[2-[4-(2,2-dimethylpropoxy)phenyl]-3H-benzimidazol-5-yl]morpholine
CID 143859047
(3R,4R,6S)-5-amino-2-(aminomethyl)-6-[(1S,2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[[4-[[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]methyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 58160606
(3S,4R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,4R)-4,6-diamino-2-[(3S,4R,5R)-4-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[[4-[[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]methyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 122537347
(3S,4R,6S)-5-amino-2-(aminomethyl)-6-[(1R,2R,4R)-4,6-diamino-2-[(2S,3S,5R)-4-[(2R,5S,6S)-3-amino-6-(aminomethyl)-4,5-dihydroxyoxan-2-yl]oxy-3-hydroxy-5-[[4-[[4-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]methyl]triazol-1-yl]methyl]oxolan-2-yl]oxy-3-hydroxycyclohexyl]oxyoxane-3,4-diol
CID 88975169
2,6-bis[[4-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]methyl]pyridine;dihydrochloride
CID 70695580
2-[4-[6-[4-[6-(4,5-dihydro-1H-imidazol-2-yl)-1-benzofuran-2-yl]phenoxy]hexoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 11318412
3-[6-(1,4,5,6-tetrahydropyrimidin-2-yl)-1H-benzimidazol-2-yl]benzoic acid
CID 4915600

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).