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

C15H24IN3O — CID 120970144

IUPAC1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCCOCc1ccccc1CNC1=NCCN1C.I
InChIInChI=1S/C15H23N3O.HI/c1-3-10-19-12-14-7-5-4-6-13(14)11-17-15-16-8-9-18(15)2;/h4-7H,3,8-12H2,1-2H3,(H,16,17);1H
InChIKeyDHNKBTIYEFVEEZ-UHFFFAOYSA-N
MW389.28 g/mol
LogP2.62
Rot. Bonds6

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

1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120970144) has the molecular formula C15H24IN3O and a molecular weight of 389.28 g/mol. Its IUPAC name is 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120970144
Molecular FormulaC15H24IN3O
Molecular Weight389.28 g/mol
Exact Mass389.10
IUPAC Name1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCCCOCc1ccccc1CNC1=NCCN1C.I
InChIInChI=1S/C15H23N3O.HI/c1-3-10-19-12-14-7-5-4-6-13(14)11-17-15-16-8-9-18(15)2;/h4-7H,3,8-12H2,1-2H3,(H,16,17);1H
InChIKeyDHNKBTIYEFVEEZ-UHFFFAOYSA-N
XLogP2.62
TPSA36.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.28
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969799
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972030
1-methyl-N-[[2-(4-propoxyphenoxy)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970119
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
N-[(2-ethoxy-3-pyridinyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969710
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970372
1-methyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971858
1-methyl-N-[[2-(2,2,2-trifluoroethoxy)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970341
1-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969589

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120970144) is 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CCCOCc1ccccc1CNC1=NCCN1C.I.
What is the InChIKey of 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is DHNKBTIYEFVEEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O.HI/c1-3-10-19-12-14-7-5-4-6-13(14)11-17-15-16-8-9-18(15)2;/h4-7H,3,8-12H2,1-2H3,(H,16,17);1H.
What are the key properties of 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 389.28 g/mol, XLogP of 2.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120970144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).