5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine

C12H16N4 — CID 79498835

IUPAC5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1ccccn1
InChIInChI=1S/C12H16N4/c1-3-8-16-11(13)15-9-12(16,2)10-6-4-5-7-14-10/h3-7H,1,8-9H2,2H3,(H2,13,15)
InChIKeyQGDVBVGKXFLRFH-UHFFFAOYSA-N
MW216.29 g/mol
LogP1.11
Rot. Bonds3

About 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine

5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine (PubChem CID 79498835) has the molecular formula C12H16N4 and a molecular weight of 216.29 g/mol. Its IUPAC name is 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine
PubChem CID79498835
Molecular FormulaC12H16N4
Molecular Weight216.29 g/mol
Exact Mass216.14
IUPAC Name5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine
SMILESC=CCN1C(N)=NCC1(C)c1ccccn1
InChIInChI=1S/C12H16N4/c1-3-8-16-11(13)15-9-12(16,2)10-6-4-5-7-14-10/h3-7H,1,8-9H2,2H3,(H2,13,15)
InChIKeyQGDVBVGKXFLRFH-UHFFFAOYSA-N
XLogP1.11
TPSA54.51 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.29
LogP ≤ 51.11
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-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine?
The IUPAC name of 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine (CID 79498835) is 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine.
What is the SMILES notation for 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine?
The canonical SMILES for 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine is C=CCN1C(N)=NCC1(C)c1ccccn1.
What is the InChIKey of 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine?
The InChIKey is QGDVBVGKXFLRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4/c1-3-8-16-11(13)15-9-12(16,2)10-6-4-5-7-14-10/h3-7H,1,8-9H2,2H3,(H2,13,15).
What are the key properties of 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine?
5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine has a molecular weight of 216.29 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-prop-2-enyl-5-pyridin-2-yl-4H-imidazol-2-amine is sourced from PubChem (CID 79498835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).