4,5-dimethylidene-1-propan-2-ylimidazole

C8H12N2 — CID 123546523

IUPAC4,5-dimethylidene-1-propan-2-ylimidazole
SMILESC=c1ncn(C(C)C)c1=C
InChIInChI=1S/C8H12N2/c1-6(2)10-5-9-7(3)8(10)4/h5-6H,3-4H2,1-2H3
InChIKeyFXTJWLICKSZKJR-UHFFFAOYSA-N
MW136.20 g/mol
LogP0.28
Rot. Bonds1

About 4,5-dimethylidene-1-propan-2-ylimidazole

4,5-dimethylidene-1-propan-2-ylimidazole (PubChem CID 123546523) has the molecular formula C8H12N2 and a molecular weight of 136.20 g/mol. Its IUPAC name is 4,5-dimethylidene-1-propan-2-ylimidazole.

Molecular Properties

Compound Name4,5-dimethylidene-1-propan-2-ylimidazole
PubChem CID123546523
Molecular FormulaC8H12N2
Molecular Weight136.20 g/mol
Exact Mass136.10
IUPAC Name4,5-dimethylidene-1-propan-2-ylimidazole
SMILESC=c1ncn(C(C)C)c1=C
InChIInChI=1S/C8H12N2/c1-6(2)10-5-9-7(3)8(10)4/h5-6H,3-4H2,1-2H3
InChIKeyFXTJWLICKSZKJR-UHFFFAOYSA-N
XLogP0.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.20
LogP ≤ 50.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethylidene-1-propan-2-ylimidazole?
The IUPAC name of 4,5-dimethylidene-1-propan-2-ylimidazole (CID 123546523) is 4,5-dimethylidene-1-propan-2-ylimidazole.
What is the SMILES notation for 4,5-dimethylidene-1-propan-2-ylimidazole?
The canonical SMILES for 4,5-dimethylidene-1-propan-2-ylimidazole is C=c1ncn(C(C)C)c1=C.
What is the InChIKey of 4,5-dimethylidene-1-propan-2-ylimidazole?
The InChIKey is FXTJWLICKSZKJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2/c1-6(2)10-5-9-7(3)8(10)4/h5-6H,3-4H2,1-2H3.
What are the key properties of 4,5-dimethylidene-1-propan-2-ylimidazole?
4,5-dimethylidene-1-propan-2-ylimidazole has a molecular weight of 136.20 g/mol, XLogP of 0.28, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethylidene-1-propan-2-ylimidazole is sourced from PubChem (CID 123546523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).