4-but-3-enyl-1,3,5-trimethyl-2H-imidazole

C10H18N2 — CID 154959631

IUPAC4-but-3-enyl-1,3,5-trimethyl-2H-imidazole
SMILESC=CCCC1=C(C)N(C)CN1C
InChIInChI=1S/C10H18N2/c1-5-6-7-10-9(2)11(3)8-12(10)4/h5H,1,6-8H2,2-4H3
InChIKeySLUFJFOPRPOBRB-UHFFFAOYSA-N
MW166.27 g/mol
LogP2.02
Rot. Bonds3

About 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole

4-but-3-enyl-1,3,5-trimethyl-2H-imidazole (PubChem CID 154959631) has the molecular formula C10H18N2 and a molecular weight of 166.27 g/mol. Its IUPAC name is 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole.

Molecular Properties

Compound Name4-but-3-enyl-1,3,5-trimethyl-2H-imidazole
PubChem CID154959631
Molecular FormulaC10H18N2
Molecular Weight166.27 g/mol
Exact Mass166.15
IUPAC Name4-but-3-enyl-1,3,5-trimethyl-2H-imidazole
SMILESC=CCCC1=C(C)N(C)CN1C
InChIInChI=1S/C10H18N2/c1-5-6-7-10-9(2)11(3)8-12(10)4/h5H,1,6-8H2,2-4H3
InChIKeySLUFJFOPRPOBRB-UHFFFAOYSA-N
XLogP2.02
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.27
LogP ≤ 52.02
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 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole?
The IUPAC name of 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole (CID 154959631) is 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole.
What is the SMILES notation for 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole?
The canonical SMILES for 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole is C=CCCC1=C(C)N(C)CN1C.
What is the InChIKey of 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole?
The InChIKey is SLUFJFOPRPOBRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2/c1-5-6-7-10-9(2)11(3)8-12(10)4/h5H,1,6-8H2,2-4H3.
What are the key properties of 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole?
4-but-3-enyl-1,3,5-trimethyl-2H-imidazole has a molecular weight of 166.27 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-but-3-enyl-1,3,5-trimethyl-2H-imidazole is sourced from PubChem (CID 154959631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).