1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

C15H25IN4S — CID 120971398

IUPAC1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1CCCN(C)C1c1cccs1.I
InChIInChI=1S/C15H24N4S.HI/c1-18-8-3-5-12(14(18)13-6-4-10-20-13)11-17-15-16-7-9-19(15)2;/h4,6,10,12,14H,3,5,7-9,11H2,1-2H3,(H,16,17);1H
InChIKeyDGYZJUNNWWBVRT-UHFFFAOYSA-N
MW420.36 g/mol
LogP2.64
Rot. Bonds3

About 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide

1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971398) has the molecular formula C15H25IN4S and a molecular weight of 420.36 g/mol. Its IUPAC name is 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971398
Molecular FormulaC15H25IN4S
Molecular Weight420.36 g/mol
Exact Mass420.08
IUPAC Name1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCC1CCCN(C)C1c1cccs1.I
InChIInChI=1S/C15H24N4S.HI/c1-18-8-3-5-12(14(18)13-6-4-10-20-13)11-17-15-16-7-9-19(15)2;/h4,6,10,12,14H,3,5,7-9,11H2,1-2H3,(H,16,17);1H
InChIKeyDGYZJUNNWWBVRT-UHFFFAOYSA-N
XLogP2.64
TPSA30.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.36
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide with MolForge

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Related Compounds

N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-6-propan-2-yloxypyrazin-2-amine
CID 133484080
6-chloro-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methylamino]pyridazine-4-carboxamide
CID 133340874
N'-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide;hydroiodide
CID 109441562
1-methyl-N-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]-4,5-dihydroimidazol-2-amine
CID 120970535
1-[[2-[(dimethylamino)methyl]phenyl]methyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666495
1-[2-cyclopropyl-2-(dimethylamino)ethyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine
CID 111666158
2,3-dihydroxy-N-[[(2R,3S)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]benzamide
CID 124625545
N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-1H-pyrazole-5-carboxamide
CID 129378000
1-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-methyl-3-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111666313
2-N-[[(2S,3R)-1-methyl-2-thiophen-2-ylpiperidin-3-yl]methyl]-5-nitropyrimidine-2,4-diamine
CID 129422400
2-methyl-1-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-3-(oxan-2-ylmethyl)guanidine;hydroiodide
CID 119141797
1,3-diethyl-2-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]guanidine;hydroiodide
CID 111464905

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971398) is 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCC1CCCN(C)C1c1cccs1.I.
What is the InChIKey of 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is DGYZJUNNWWBVRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4S.HI/c1-18-8-3-5-12(14(18)13-6-4-10-20-13)11-17-15-16-7-9-19(15)2;/h4,6,10,12,14H,3,5,7-9,11H2,1-2H3,(H,16,17);1H.
What are the key properties of 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 420.36 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(1-methyl-2-thiophen-2-ylpiperidin-3-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).