1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole

C12H18N4 — CID 57276437

IUPAC1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole
SMILESC=CCN1CCN=C1C1=NCCN1CC=C
InChIInChI=1S/C12H18N4/c1-3-7-15-9-5-13-11(15)12-14-6-10-16(12)8-4-2/h3-4H,1-2,5-10H2
InChIKeySHIOYAUPWLRIFW-UHFFFAOYSA-N
MW218.30 g/mol
LogP0.79
Rot. Bonds5

About 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole

1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole (PubChem CID 57276437) has the molecular formula C12H18N4 and a molecular weight of 218.30 g/mol. Its IUPAC name is 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole
PubChem CID57276437
Molecular FormulaC12H18N4
Molecular Weight218.30 g/mol
Exact Mass218.15
IUPAC Name1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole
SMILESC=CCN1CCN=C1C1=NCCN1CC=C
InChIInChI=1S/C12H18N4/c1-3-7-15-9-5-13-11(15)12-14-6-10-16(12)8-4-2/h3-4H,1-2,5-10H2
InChIKeySHIOYAUPWLRIFW-UHFFFAOYSA-N
XLogP0.79
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 50.79
H-Bond Donors ≤ 50
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-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole?
The IUPAC name of 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole (CID 57276437) is 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole?
The canonical SMILES for 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole is C=CCN1CCN=C1C1=NCCN1CC=C.
What is the InChIKey of 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole?
The InChIKey is SHIOYAUPWLRIFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4/c1-3-7-15-9-5-13-11(15)12-14-6-10-16(12)8-4-2/h3-4H,1-2,5-10H2.
What are the key properties of 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole?
1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole has a molecular weight of 218.30 g/mol, XLogP of 0.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enyl-2-(1-prop-2-enyl-4,5-dihydroimidazol-2-yl)-4,5-dihydroimidazole is sourced from PubChem (CID 57276437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).