2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride

C15H22Cl2N4O — CID 73474169

IUPAC2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride
SMILESCl.Cl.NCCON=C(CCCn1ccnc1)c1ccccc1
InChIInChI=1S/C15H20N4O.2ClH/c16-8-12-20-18-15(14-5-2-1-3-6-14)7-4-10-19-11-9-17-13-19;;/h1-3,5-6,9,11,13H,4,7-8,10,12,16H2;2*1H
InChIKeyUOSBSFYGGGGAEN-UHFFFAOYSA-N
MW345.27 g/mol
LogP2.89
Rot. Bonds8

About 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride

2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride (PubChem CID 73474169) has the molecular formula C15H22Cl2N4O and a molecular weight of 345.27 g/mol. Its IUPAC name is 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride.

Molecular Properties

Compound Name2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride
PubChem CID73474169
Molecular FormulaC15H22Cl2N4O
Molecular Weight345.27 g/mol
Exact Mass344.12
IUPAC Name2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride
SMILESCl.Cl.NCCON=C(CCCn1ccnc1)c1ccccc1
InChIInChI=1S/C15H20N4O.2ClH/c16-8-12-20-18-15(14-5-2-1-3-6-14)7-4-10-19-11-9-17-13-19;;/h1-3,5-6,9,11,13H,4,7-8,10,12,16H2;2*1H
InChIKeyUOSBSFYGGGGAEN-UHFFFAOYSA-N
XLogP2.89
TPSA65.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.27
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(E)-[1-(4-fluorophenyl)-4-imidazol-1-ylbutylidene]amino]oxyethanamine;dihydrochloride
CID 19078329
2-[[4-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]butylidene]amino]oxyethanamine;dihydrochloride
CID 73474165
2-[(E)-[3-imidazol-1-yl-1-[4-(trifluoromethyl)phenyl]propylidene]amino]oxyethanamine
CID 21467438
2-[[3-imidazol-1-yl-1-[3-(trifluoromethyl)phenyl]propylidene]amino]oxyethanamine
CID 54052375
ethyl 2-[2-[(2-imidazol-1-yl-1-phenylethylidene)amino]oxyethoxy]acetate
CID 148545907
5-[(E)-(2-imidazol-1-yl-1-pyridin-3-ylethylidene)amino]oxypentanoic acid
CID 15191808
3-imidazol-1-ylpropan-1-amine;hydrochloride
CID 19864194
N-(2-aminoethoxy)-3-imidazol-1-yl-1-phenylprop-1-en-1-amine
CID 57036899
2-(3-imidazol-1-ylpropoxy)benzaldehyde;hydrochloride
CID 75531575
chloroosmium;3-imidazol-1-ylpropan-1-amine;bis(2-pyridin-2-ylpyridine)
CID 11585550
1-(4-phenylsulfanylbutyl)imidazole
CID 58580494
1-(2-phenyl-2-sulfonylethyl)imidazole
CID 21402211

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride?
The IUPAC name of 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride (CID 73474169) is 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride.
What is the SMILES notation for 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride?
The canonical SMILES for 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride is Cl.Cl.NCCON=C(CCCn1ccnc1)c1ccccc1.
What is the InChIKey of 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride?
The InChIKey is UOSBSFYGGGGAEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O.2ClH/c16-8-12-20-18-15(14-5-2-1-3-6-14)7-4-10-19-11-9-17-13-19;;/h1-3,5-6,9,11,13H,4,7-8,10,12,16H2;2*1H.
What are the key properties of 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride?
2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride has a molecular weight of 345.27 g/mol, XLogP of 2.89, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-yl-1-phenylbutylidene)amino]oxyethanamine;dihydrochloride is sourced from PubChem (CID 73474169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).