2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide

C19H26IN3O3 — CID 166367095

IUPAC2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide
SMILESCOc1ccc2cc(CNC3=NCCN3CCOCCO)ccc2c1.I
InChIInChI=1S/C19H25N3O3.HI/c1-24-18-5-4-16-12-15(2-3-17(16)13-18)14-21-19-20-6-7-22(19)8-10-25-11-9-23;/h2-5,12-13,23H,6-11,14H2,1H3,(H,20,21);1H
InChIKeyQRTUVKCSDKRVJL-UHFFFAOYSA-N
MW471.34 g/mol
LogP2.24
Rot. Bonds8

About 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide

2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide (PubChem CID 166367095) has the molecular formula C19H26IN3O3 and a molecular weight of 471.34 g/mol. Its IUPAC name is 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide.

Molecular Properties

Compound Name2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide
PubChem CID166367095
Molecular FormulaC19H26IN3O3
Molecular Weight471.34 g/mol
Exact Mass471.10
IUPAC Name2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide
SMILESCOc1ccc2cc(CNC3=NCCN3CCOCCO)ccc2c1.I
InChIInChI=1S/C19H25N3O3.HI/c1-24-18-5-4-16-12-15(2-3-17(16)13-18)14-21-19-20-6-7-22(19)8-10-25-11-9-23;/h2-5,12-13,23H,6-11,14H2,1H3,(H,20,21);1H
InChIKeyQRTUVKCSDKRVJL-UHFFFAOYSA-N
XLogP2.24
TPSA66.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.34
LogP ≤ 52.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide?
The IUPAC name of 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide (CID 166367095) is 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide.
What is the SMILES notation for 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide?
The canonical SMILES for 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide is COc1ccc2cc(CNC3=NCCN3CCOCCO)ccc2c1.I.
What is the InChIKey of 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide?
The InChIKey is QRTUVKCSDKRVJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3.HI/c1-24-18-5-4-16-12-15(2-3-17(16)13-18)14-21-19-20-6-7-22(19)8-10-25-11-9-23;/h2-5,12-13,23H,6-11,14H2,1H3,(H,20,21);1H.
What are the key properties of 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide?
2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide has a molecular weight of 471.34 g/mol, XLogP of 2.24, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(6-methoxynaphthalen-2-yl)methylamino]-4,5-dihydroimidazol-1-yl]ethoxy]ethanol;hydroiodide is sourced from PubChem (CID 166367095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).