5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

C14H19N3 — CID 79497684

IUPAC5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1cc(C)ccc1C
InChIInChI=1S/C14H19N3/c1-4-7-17-13(9-16-14(17)15)12-8-10(2)5-6-11(12)3/h4-6,8,13H,1,7,9H2,2-3H3,(H2,15,16)
InChIKeyWBWDOEFQRMBDAV-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.16
Rot. Bonds3

About 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine

5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (PubChem CID 79497684) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
PubChem CID79497684
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine
SMILESC=CCN1C(N)=NCC1c1cc(C)ccc1C
InChIInChI=1S/C14H19N3/c1-4-7-17-13(9-16-14(17)15)12-8-10(2)5-6-11(12)3/h4-6,8,13H,1,7,9H2,2-3H3,(H2,15,16)
InChIKeyWBWDOEFQRMBDAV-UHFFFAOYSA-N
XLogP2.16
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The IUPAC name of 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine (CID 79497684) is 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The canonical SMILES for 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is C=CCN1C(N)=NCC1c1cc(C)ccc1C.
What is the InChIKey of 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
The InChIKey is WBWDOEFQRMBDAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-7-17-13(9-16-14(17)15)12-8-10(2)5-6-11(12)3/h4-6,8,13H,1,7,9H2,2-3H3,(H2,15,16).
What are the key properties of 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine?
5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine has a molecular weight of 229.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethylphenyl)-1-prop-2-enyl-4,5-dihydroimidazol-2-amine is sourced from PubChem (CID 79497684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).