1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C16H26IN5 — CID 120969647

IUPAC1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC1CCN(c2ccc(CNC3=NCCN3C)cn2)CC1.I
InChIInChI=1S/C16H25N5.HI/c1-13-5-8-21(9-6-13)15-4-3-14(11-18-15)12-19-16-17-7-10-20(16)2;/h3-4,11,13H,5-10,12H2,1-2H3,(H,17,19);1H
InChIKeyMSJAOTPTYGXWKS-UHFFFAOYSA-N
MW415.32 g/mol
LogP2.33
Rot. Bonds3

About 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120969647) has the molecular formula C16H26IN5 and a molecular weight of 415.32 g/mol. Its IUPAC name is 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120969647
Molecular FormulaC16H26IN5
Molecular Weight415.32 g/mol
Exact Mass415.12
IUPAC Name1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCC1CCN(c2ccc(CNC3=NCCN3C)cn2)CC1.I
InChIInChI=1S/C16H25N5.HI/c1-13-5-8-21(9-6-13)15-4-3-14(11-18-15)12-19-16-17-7-10-20(16)2;/h3-4,11,13H,5-10,12H2,1-2H3,(H,17,19);1H
InChIKeyMSJAOTPTYGXWKS-UHFFFAOYSA-N
XLogP2.33
TPSA43.76 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.32
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969648
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
1-methyl-N-[[6-(2-methylmorpholin-4-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969669
1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
1-methyl-N-[[4-[(4-methylpiperidin-1-yl)methyl]phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969584
2-cyclopropyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]pyrimidin-4-amine
CID 133297066
N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-2-amine
CID 55054509
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969794
1-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120972045
2-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]propan-1-amine
CID 60777709
N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide
CID 120972497
1-[(4-chlorophenyl)methyl]-2-methyl-3-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]guanidine;hydroiodide
CID 111131703

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120969647) is 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CC1CCN(c2ccc(CNC3=NCCN3C)cn2)CC1.I.
What is the InChIKey of 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is MSJAOTPTYGXWKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5.HI/c1-13-5-8-21(9-6-13)15-4-3-14(11-18-15)12-19-16-17-7-10-20(16)2;/h3-4,11,13H,5-10,12H2,1-2H3,(H,17,19);1H.
What are the key properties of 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 415.32 g/mol, XLogP of 2.33, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).