3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide

C17H20IN3O — CID 166367428

IUPAC3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide
SMILESCN(Cc1cccc(O)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C17H19N3O.HI/c1-20(12-13-6-5-9-15(21)10-13)17-18-11-16(19-17)14-7-3-2-4-8-14;/h2-10,16,21H,11-12H2,1H3,(H,18,19);1H
InChIKeyDMGZSYKSMCYDQX-UHFFFAOYSA-N
MW409.27 g/mol
LogP3.14
Rot. Bonds3

About 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide

3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide (PubChem CID 166367428) has the molecular formula C17H20IN3O and a molecular weight of 409.27 g/mol. Its IUPAC name is 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide.

Molecular Properties

Compound Name3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide
PubChem CID166367428
Molecular FormulaC17H20IN3O
Molecular Weight409.27 g/mol
Exact Mass409.07
IUPAC Name3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide
SMILESCN(Cc1cccc(O)c1)C1=NCC(c2ccccc2)N1.I
InChIInChI=1S/C17H19N3O.HI/c1-20(12-13-6-5-9-15(21)10-13)17-18-11-16(19-17)14-7-3-2-4-8-14;/h2-10,16,21H,11-12H2,1H3,(H,18,19);1H
InChIKeyDMGZSYKSMCYDQX-UHFFFAOYSA-N
XLogP3.14
TPSA47.86 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.27
LogP ≤ 53.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide?
The IUPAC name of 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide (CID 166367428) is 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide.
What is the SMILES notation for 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide?
The canonical SMILES for 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide is CN(Cc1cccc(O)c1)C1=NCC(c2ccccc2)N1.I.
What is the InChIKey of 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide?
The InChIKey is DMGZSYKSMCYDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O.HI/c1-20(12-13-6-5-9-15(21)10-13)17-18-11-16(19-17)14-7-3-2-4-8-14;/h2-10,16,21H,11-12H2,1H3,(H,18,19);1H.
What are the key properties of 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide?
3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide has a molecular weight of 409.27 g/mol, XLogP of 3.14, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[methyl-(5-phenyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenol;hydroiodide is sourced from PubChem (CID 166367428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).