1-(3-methylbut-1-enyl)-4,5-dihydroimidazole

C8H14N2 — CID 164767482

IUPAC1-(3-methylbut-1-enyl)-4,5-dihydroimidazole
SMILESCC(C)C=CN1C=NCC1
InChIInChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyRXNWDIGSLGIJOO-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.50
Rot. Bonds2

About 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole

1-(3-methylbut-1-enyl)-4,5-dihydroimidazole (PubChem CID 164767482) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole.

Molecular Properties

Compound Name1-(3-methylbut-1-enyl)-4,5-dihydroimidazole
PubChem CID164767482
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name1-(3-methylbut-1-enyl)-4,5-dihydroimidazole
SMILESCC(C)C=CN1C=NCC1
InChIInChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h3,5,7-8H,4,6H2,1-2H3
InChIKeyRXNWDIGSLGIJOO-UHFFFAOYSA-N
XLogP1.50
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole?
The IUPAC name of 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole (CID 164767482) is 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole.
What is the SMILES notation for 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole?
The canonical SMILES for 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole is CC(C)C=CN1C=NCC1.
What is the InChIKey of 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole?
The InChIKey is RXNWDIGSLGIJOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2)3-5-10-6-4-9-7-10/h3,5,7-8H,4,6H2,1-2H3.
What are the key properties of 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole?
1-(3-methylbut-1-enyl)-4,5-dihydroimidazole has a molecular weight of 138.21 g/mol, XLogP of 1.50, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylbut-1-enyl)-4,5-dihydroimidazole is sourced from PubChem (CID 164767482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).