5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C14H19N3O — CID 79498051

IUPAC5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1cccc(COC)c1
InChIInChI=1S/C14H19N3O/c1-3-7-17-13(9-16-14(17)15)12-6-4-5-11(8-12)10-18-2/h3-6,8,13H,1,7,9-10H2,2H3,(H2,15,16)
InChIKeyCMHOVTFIWNJSTP-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.69
Rot. Bonds5

About 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79498051) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79498051
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1cccc(COC)c1
InChIInChI=1S/C14H19N3O/c1-3-7-17-13(9-16-14(17)15)12-6-4-5-11(8-12)10-18-2/h3-6,8,13H,1,7,9-10H2,2H3,(H2,15,16)
InChIKeyCMHOVTFIWNJSTP-UHFFFAOYSA-N
XLogP1.69
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79498051) is 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1cccc(COC)c1.
What is the InChIKey of 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is CMHOVTFIWNJSTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-3-7-17-13(9-16-14(17)15)12-6-4-5-11(8-12)10-18-2/h3-6,8,13H,1,7,9-10H2,2H3,(H2,15,16).
What are the key properties of 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 245.33 g/mol, XLogP of 1.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(methoxymethyl)phenyl]-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79498051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).