1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine

C13H16N4 — CID 106562002

IUPAC1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NC(C)c1ccncc1
InChIInChI=1S/C13H16N4/c1-3-9-17-10-8-15-13(17)16-11(2)12-4-6-14-7-5-12/h3-8,10-11H,1,9H2,2H3,(H,15,16)
InChIKeyXJESTPCBQDUDSG-UHFFFAOYSA-N
MW228.30 g/mol
LogP2.64
Rot. Bonds5

About 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine

1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine (PubChem CID 106562002) has the molecular formula C13H16N4 and a molecular weight of 228.30 g/mol. Its IUPAC name is 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine.

Molecular Properties

Compound Name1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
PubChem CID106562002
Molecular FormulaC13H16N4
Molecular Weight228.30 g/mol
Exact Mass228.14
IUPAC Name1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine
SMILESC=CCn1ccnc1NC(C)c1ccncc1
InChIInChI=1S/C13H16N4/c1-3-9-17-10-8-15-13(17)16-11(2)12-4-6-14-7-5-12/h3-8,10-11H,1,9H2,2H3,(H,15,16)
InChIKeyXJESTPCBQDUDSG-UHFFFAOYSA-N
XLogP2.64
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.30
LogP ≤ 52.64
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 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine?
The IUPAC name of 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine (CID 106562002) is 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine.
What is the SMILES notation for 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine?
The canonical SMILES for 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine is C=CCn1ccnc1NC(C)c1ccncc1.
What is the InChIKey of 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine?
The InChIKey is XJESTPCBQDUDSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4/c1-3-9-17-10-8-15-13(17)16-11(2)12-4-6-14-7-5-12/h3-8,10-11H,1,9H2,2H3,(H,15,16).
What are the key properties of 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine?
1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine has a molecular weight of 228.30 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-N-(1-pyridin-4-ylethyl)imidazol-2-amine is sourced from PubChem (CID 106562002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).