2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol

C21H32N4O3 — CID 166615101

IUPAC2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccc(OCCCCN2CCOCC2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C21H32N4O3/c26-13-10-25(18-21-22-7-8-23-21)17-19-3-5-20(6-4-19)28-14-2-1-9-24-11-15-27-16-12-24/h3-8,26H,1-2,9-18H2,(H,22,23)
InChIKeyOCUAEYVXUNBZBV-UHFFFAOYSA-N
MW388.51 g/mol
LogP1.90
Rot. Bonds12

About 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol

2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol (PubChem CID 166615101) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol.

Molecular Properties

Compound Name2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol
PubChem CID166615101
Molecular FormulaC21H32N4O3
Molecular Weight388.51 g/mol
Exact Mass388.25
IUPAC Name2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol
SMILESOCCN(Cc1ccc(OCCCCN2CCOCC2)cc1)Cc1ncc[nH]1
InChIInChI=1S/C21H32N4O3/c26-13-10-25(18-21-22-7-8-23-21)17-19-3-5-20(6-4-19)28-14-2-1-9-24-11-15-27-16-12-24/h3-8,26H,1-2,9-18H2,(H,22,23)
InChIKeyOCUAEYVXUNBZBV-UHFFFAOYSA-N
XLogP1.90
TPSA73.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.51
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol?
The IUPAC name of 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol (CID 166615101) is 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol.
What is the SMILES notation for 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol?
The canonical SMILES for 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol is OCCN(Cc1ccc(OCCCCN2CCOCC2)cc1)Cc1ncc[nH]1.
What is the InChIKey of 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol?
The InChIKey is OCUAEYVXUNBZBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c26-13-10-25(18-21-22-7-8-23-21)17-19-3-5-20(6-4-19)28-14-2-1-9-24-11-15-27-16-12-24/h3-8,26H,1-2,9-18H2,(H,22,23).
What are the key properties of 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol?
2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol has a molecular weight of 388.51 g/mol, XLogP of 1.90, 12 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1H-imidazol-2-ylmethyl-[[4-(4-morpholin-4-ylbutoxy)phenyl]methyl]amino]ethanol is sourced from PubChem (CID 166615101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).