1,2-bis(prop-2-enyl)-4,5-dihydroimidazole

C9H14N2 — CID 67019107

IUPAC1,2-bis(prop-2-enyl)-4,5-dihydroimidazole
SMILESC=CCC1=NCCN1CC=C
InChIInChI=1S/C9H14N2/c1-3-5-9-10-6-8-11(9)7-4-2/h3-4H,1-2,5-8H2
InChIKeyDHXYTSBGYQOMEG-UHFFFAOYSA-N
MW150.22 g/mol
LogP1.46
Rot. Bonds4

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

1,2-bis(prop-2-enyl)-4,5-dihydroimidazole (PubChem CID 67019107) has the molecular formula C9H14N2 and a molecular weight of 150.22 g/mol. Its IUPAC name is 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1,2-bis(prop-2-enyl)-4,5-dihydroimidazole
PubChem CID67019107
Molecular FormulaC9H14N2
Molecular Weight150.22 g/mol
Exact Mass150.12
IUPAC Name1,2-bis(prop-2-enyl)-4,5-dihydroimidazole
SMILESC=CCC1=NCCN1CC=C
InChIInChI=1S/C9H14N2/c1-3-5-9-10-6-8-11(9)7-4-2/h3-4H,1-2,5-8H2
InChIKeyDHXYTSBGYQOMEG-UHFFFAOYSA-N
XLogP1.46
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.22
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole?
The IUPAC name of 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole (CID 67019107) is 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole?
The canonical SMILES for 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole is C=CCC1=NCCN1CC=C.
What is the InChIKey of 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole?
The InChIKey is DHXYTSBGYQOMEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2/c1-3-5-9-10-6-8-11(9)7-4-2/h3-4H,1-2,5-8H2.
What are the key properties of 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole?
1,2-bis(prop-2-enyl)-4,5-dihydroimidazole has a molecular weight of 150.22 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis(prop-2-enyl)-4,5-dihydroimidazole is sourced from PubChem (CID 67019107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).