N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

C13H19ClIN3O — CID 120971466

IUPACN-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(CNC1=NCCN1C)Oc1ccccc1Cl.I
InChIInChI=1S/C13H18ClN3O.HI/c1-10(9-16-13-15-7-8-17(13)2)18-12-6-4-3-5-11(12)14;/h3-6,10H,7-9H2,1-2H3,(H,15,16);1H
InChIKeyMZRFRMGTZNJFPL-UHFFFAOYSA-N
MW395.67 g/mol
LogP2.62
Rot. Bonds4

About N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide

N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971466) has the molecular formula C13H19ClIN3O and a molecular weight of 395.67 g/mol. Its IUPAC name is N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971466
Molecular FormulaC13H19ClIN3O
Molecular Weight395.67 g/mol
Exact Mass395.03
IUPAC NameN-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC(CNC1=NCCN1C)Oc1ccccc1Cl.I
InChIInChI=1S/C13H18ClN3O.HI/c1-10(9-16-13-15-7-8-17(13)2)18-12-6-4-3-5-11(12)14;/h3-6,10H,7-9H2,1-2H3,(H,15,16);1H
InChIKeyMZRFRMGTZNJFPL-UHFFFAOYSA-N
XLogP2.62
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.67
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120971467
N-(2,2-diphenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969182
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969484
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
N-[2-(2-chlorophenoxy)propyl]-4-methylaniline
CID 54797024
N-(2-methoxy-2-phenylethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969485
1-methyl-N-[2-(2-methylphenoxy)ethyl]-4,5-dihydroimidazol-2-amine
CID 120970313
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753
N-[2-(2-methoxyphenyl)ethyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969157
N-[2-(2-chlorophenoxy)propyl]-3-methylbutan-1-amine
CID 62571196
2-(2-chlorophenyl)-1-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propan-2-ol
CID 120972167

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971466) is N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is CC(CNC1=NCCN1C)Oc1ccccc1Cl.I.
What is the InChIKey of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is MZRFRMGTZNJFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18ClN3O.HI/c1-10(9-16-13-15-7-8-17(13)2)18-12-6-4-3-5-11(12)14;/h3-6,10H,7-9H2,1-2H3,(H,15,16);1H.
What are the key properties of N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide?
N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 395.67 g/mol, XLogP of 2.62, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-chlorophenoxy)propyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).