N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

C11H17IN4O — CID 120969454

IUPACN-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCOc1cc(CNC2=NCC(C)N2)ccn1.I
InChIInChI=1S/C11H16N4O.HI/c1-8-6-13-11(15-8)14-7-9-3-4-12-10(5-9)16-2;/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15);1H
InChIKeyKHKWBPGFYRISJE-UHFFFAOYSA-N
MW348.19 g/mol
LogP1.15
Rot. Bonds3

About N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide

N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (PubChem CID 120969454) has the molecular formula C11H17IN4O and a molecular weight of 348.19 g/mol. Its IUPAC name is N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.

Molecular Properties

Compound NameN-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
PubChem CID120969454
Molecular FormulaC11H17IN4O
Molecular Weight348.19 g/mol
Exact Mass348.04
IUPAC NameN-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
SMILESCOc1cc(CNC2=NCC(C)N2)ccn1.I
InChIInChI=1S/C11H16N4O.HI/c1-8-6-13-11(15-8)14-7-9-3-4-12-10(5-9)16-2;/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15);1H
InChIKeyKHKWBPGFYRISJE-UHFFFAOYSA-N
XLogP1.15
TPSA58.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.19
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(4-methoxypyrimidin-2-yl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine
CID 122125873
5-methyl-N-[[2-(4-methylpiperazin-1-yl)-4-pyridinyl]methyl]-4,5-dihydro-1H-imidazol-2-amine;hydroiodide
CID 120969659
5-methyl-N-[[3-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]phenyl]methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120972179
5-methyl-N-[(5-methyl-3-pyridinyl)methyl]-4,5-dihydro-1H-imidazol-2-amine
CID 120971881
N-[(2-methoxy-4-pyridinyl)methyl]-2-methylpiperidine-4-carboxamide
CID 106739998
N-[(2-methoxy-4-pyridinyl)methyl]cyclopropanecarboxamide
CID 60715595
N-[(2-methoxy-4-pyridinyl)methyl]-2,3-dimethylcyclohexan-1-amine
CID 64763111
1-(2-methoxy-4-pyridinyl)-N-methylmethanamine;hydrochloride
CID 154963549
4-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969159
methyl 5-[[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]methyl]furan-2-carboxylate;hydroiodide
CID 120972380
4-N-[(2-methoxy-4-pyridinyl)methyl]-2-N,2-N,6-N-trimethyl-1,3,5-triazine-2,4,6-triamine
CID 80808945
N-[(2-methoxy-4-pyridinyl)methyl]azepan-4-amine
CID 113361573

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The IUPAC name of N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide (CID 120969454) is N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide.
What is the SMILES notation for N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The canonical SMILES for N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is COc1cc(CNC2=NCC(C)N2)ccn1.I.
What is the InChIKey of N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
The InChIKey is KHKWBPGFYRISJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O.HI/c1-8-6-13-11(15-8)14-7-9-3-4-12-10(5-9)16-2;/h3-5,8H,6-7H2,1-2H3,(H2,13,14,15);1H.
What are the key properties of N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide?
N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide has a molecular weight of 348.19 g/mol, XLogP of 1.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxy-4-pyridinyl)methyl]-5-methyl-4,5-dihydro-1H-imidazol-2-amine;hydroiodide is sourced from PubChem (CID 120969454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).