3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate

C107H185N9O16 — CID 158538455

IUPAC3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.CCCCC[N+](CCCCC)(CCCCC)CC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.COCCOCCOCCCCCN1CCOCC1.O=C([O-])c1ccccc1.OCCCN(CCOCCOCCO)CCOCCOCCO.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H16N2.C17H31N3O.C17H35NO2.C16H36N.C15H33NO7.C14H29NO4.C7H6O2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;1-4-7-10-13-18(16-17(19)20,14-11-8-5-2)15-12-9-6-3;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;17-5-1-2-16(3-8-20-12-14-22-10-6-18)4-9-21-13-15-23-11-7-19;1-16-11-12-19-14-13-17-8-4-2-3-5-15-6-9-18-10-7-15;8-7(9)6-4-2-1-3-5-6/h1-15H,(H,22,23);15-16H,1-14H2,(H,18,19);4-16H2,1-3H3;5-16H2,1-4H3;17-19H,1-15H2;2-14H2,1H3;1-5H,(H,8,9)/q;;;+1;;;/p-1
InChIKeyHOFNNAMKXMBPRB-UHFFFAOYSA-M
MW1853.70 g/mol
LogP16.41
Rot. Bonds63

About 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate

3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate (PubChem CID 158538455) has the molecular formula C107H185N9O16 and a molecular weight of 1853.70 g/mol. Its IUPAC name is 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate.

Molecular Properties

Compound Name3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate
PubChem CID158538455
Molecular FormulaC107H185N9O16
Molecular Weight1853.70 g/mol
Exact Mass1852.39
IUPAC Name3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate
SMILESC1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.CCCCC[N+](CCCCC)(CCCCC)CC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.COCCOCCOCCCCCN1CCOCC1.O=C([O-])c1ccccc1.OCCCN(CCOCCOCCO)CCOCCOCCO.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C21H16N2.C17H31N3O.C17H35NO2.C16H36N.C15H33NO7.C14H29NO4.C7H6O2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;1-4-7-10-13-18(16-17(19)20,14-11-8-5-2)15-12-9-6-3;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;17-5-1-2-16(3-8-20-12-14-22-10-6-18)4-9-21-13-15-23-11-7-19;1-16-11-12-19-14-13-17-8-4-2-3-5-15-6-9-18-10-7-15;8-7(9)6-4-2-1-3-5-6/h1-15H,(H,22,23);15-16H,1-14H2,(H,18,19);4-16H2,1-3H3;5-16H2,1-4H3;17-19H,1-15H2;2-14H2,1H3;1-5H,(H,8,9)/q;;;+1;;;/p-1
InChIKeyHOFNNAMKXMBPRB-UHFFFAOYSA-M
XLogP16.41
TPSA286.81 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds63
Heavy Atoms132
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001853.70
LogP ≤ 516.41
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_2', 'substructure': 'N/A'}

Analyze 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate with MolForge

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Related Compounds

3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;2,2-difluoro-N-methylsulfonyl-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropane-1-sulfonamide;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;triphenylazanium;2,4,5-triphenyl-1H-imidazole;benzoate
CID 157508186
4-[[(2R)-4-benzyl-1-[2-(2-morpholin-4-ylphenyl)-4-phenyl-1H-imidazole-5-carbonyl]piperazin-2-yl]methyl]benzoic acid
CID 69328424
3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N-methylsulfonyl-3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropane-1-sulfonamide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;benzoate
CID 158381157
benzoic acid;3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;2,2-dihydroxyethyl(tripentyl)azanium;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole
CID 159490923
3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethyl]morpholine;2-phenyl-1H-benzimidazole;tetrabutylazanium;2-(tripentylazaniumyl)acetate;benzoate
CID 162020561
3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;tetrabutylazanium;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;benzoate
CID 162040816
3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;methylsulfonyl-[3-[4-(2-oxooxolan-3-yl)piperazin-1-yl]sulfonylpropylsulfonyl]azanide;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;triphenylsulfanium;benzoate
CID 162088395

Frequently Asked Questions

What is the IUPAC name of 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate?
The IUPAC name of 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate (CID 158538455) is 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate.
What is the SMILES notation for 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate?
The canonical SMILES for 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate is C1CCC(/N=C(/NC2CCCCC2)N2CCOCC2)CC1.CCCCC[N+](CCCCC)(CCCCC)CC(=O)[O-].CCCC[N+](CCCC)(CCCC)CCCC.COCCOCCOCCCCCN1CCOCC1.O=C([O-])c1ccccc1.OCCCN(CCOCCOCCO)CCOCCOCCO.c1ccc(-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate?
The InChIKey is HOFNNAMKXMBPRB-UHFFFAOYSA-M. The full InChI is InChI=1S/C21H16N2.C17H31N3O.C17H35NO2.C16H36N.C15H33NO7.C14H29NO4.C7H6O2/c1-4-10-16(11-5-1)19-20(17-12-6-2-7-13-17)23-21(22-19)18-14-8-3-9-15-18;1-3-7-15(8-4-1)18-17(20-11-13-21-14-12-20)19-16-9-5-2-6-10-16;1-4-7-10-13-18(16-17(19)20,14-11-8-5-2)15-12-9-6-3;1-5-9-13-17(14-10-6-2,15-11-7-3)16-12-8-4;17-5-1-2-16(3-8-20-12-14-22-10-6-18)4-9-21-13-15-23-11-7-19;1-16-11-12-19-14-13-17-8-4-2-3-5-15-6-9-18-10-7-15;8-7(9)6-4-2-1-3-5-6/h1-15H,(H,22,23);15-16H,1-14H2,(H,18,19);4-16H2,1-3H3;5-16H2,1-4H3;17-19H,1-15H2;2-14H2,1H3;1-5H,(H,8,9)/q;;;+1;;;/p-1.
What are the key properties of 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate?
3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate has a molecular weight of 1853.70 g/mol, XLogP of 16.41, 63 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl]amino]propan-1-ol;N,N'-dicyclohexylmorpholine-4-carboximidamide;4-[5-[2-(2-methoxyethoxy)ethoxy]pentyl]morpholine;tetrabutylazanium;2-(tripentylazaniumyl)acetate;2,4,5-triphenyl-1H-imidazole;benzoate is sourced from PubChem (CID 158538455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).