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

C14H17IN4O — CID 120971666

IUPAC1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ncoc1-c1ccccc1.I
InChIInChI=1S/C14H16N4O.HI/c1-18-8-7-15-14(18)16-9-12-13(19-10-17-12)11-5-3-2-4-6-11;/h2-6,10H,7-9H2,1H3,(H,15,16);1H
InChIKeyOJNCEZQGXSJGDU-UHFFFAOYSA-N
MW384.22 g/mol
LogP2.35
Rot. Bonds3

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

1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (PubChem CID 120971666) has the molecular formula C14H17IN4O and a molecular weight of 384.22 g/mol. Its IUPAC name is 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.

Molecular Properties

Compound Name1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
PubChem CID120971666
Molecular FormulaC14H17IN4O
Molecular Weight384.22 g/mol
Exact Mass384.04
IUPAC Name1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
SMILESCN1CCN=C1NCc1ncoc1-c1ccccc1.I
InChIInChI=1S/C14H16N4O.HI/c1-18-8-7-15-14(18)16-9-12-13(19-10-17-12)11-5-3-2-4-6-11;/h2-6,10H,7-9H2,1H3,(H,15,16);1H
InChIKeyOJNCEZQGXSJGDU-UHFFFAOYSA-N
XLogP2.35
TPSA53.66 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.22
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The IUPAC name of 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide (CID 120971666) is 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide.
What is the SMILES notation for 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The canonical SMILES for 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is CN1CCN=C1NCc1ncoc1-c1ccccc1.I.
What is the InChIKey of 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
The InChIKey is OJNCEZQGXSJGDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O.HI/c1-18-8-7-15-14(18)16-9-12-13(19-10-17-12)11-5-3-2-4-6-11;/h2-6,10H,7-9H2,1H3,(H,15,16);1H.
What are the key properties of 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide?
1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide has a molecular weight of 384.22 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide is sourced from PubChem (CID 120971666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).