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

C16H25IN4 — CID 120972030

IUPAC1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccccc1N1CCCCC1.I
InChIInChI=1S/C16H24N4.HI/c1-19-12-9-17-16(19)18-13-14-7-3-4-8-15(14)20-10-5-2-6-11-20;/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,17,18);1H
InChIKeyDEVQDWYHUCVLBJ-UHFFFAOYSA-N
MW400.31 g/mol
LogP2.69
Rot. Bonds3

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

1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120972030) has the molecular formula C16H25IN4 and a molecular weight of 400.31 g/mol. Its IUPAC name is 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120972030
Molecular FormulaC16H25IN4
Molecular Weight400.31 g/mol
Exact Mass400.11
IUPAC Name1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ccccc1N1CCCCC1.I
InChIInChI=1S/C16H24N4.HI/c1-19-12-9-17-16(19)18-13-14-7-3-4-8-15(14)20-10-5-2-6-11-20;/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,17,18);1H
InChIKeyDEVQDWYHUCVLBJ-UHFFFAOYSA-N
XLogP2.69
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.31
LogP ≤ 52.69
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-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
N-[[2-[[cyclohexyl(methyl)amino]methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970372
1-methyl-N-[[2-[(2-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969589
N-[[2-[(4-ethylpiperazin-1-yl)methyl]phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969799
N-[(2-ethoxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969504
N-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969350
1-methyl-N-[[2-(propoxymethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970144
N-[(2-cyclopentyloxyphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969677
2-chloro-N-[(2-piperidin-1-ylphenyl)methyl]aniline
CID 102141115
N-[(5-chloro-2-morpholin-4-ylphenyl)methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972680
1-methyl-N-[[2-(1-methylpyrazol-4-yl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971858
1-methyl-N-[[2-(4-methylpiperazin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970569

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120972030) is 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ccccc1N1CCCCC1.I.
What is the InChIKey of 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is DEVQDWYHUCVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4.HI/c1-19-12-9-17-16(19)18-13-14-7-3-4-8-15(14)20-10-5-2-6-11-20;/h3-4,7-8H,2,5-6,9-13H2,1H3,(H,17,18);1H.
What are the key properties of 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 400.31 g/mol, XLogP of 2.69, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(2-piperidin-1-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120972030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).