5-methylidene-2-propan-2-yl-1,4-dihydroimidazole

C7H12N2 — CID 22093118

IUPAC5-methylidene-2-propan-2-yl-1,4-dihydroimidazole
SMILESC=C1CN=C(C(C)C)N1
InChIInChI=1S/C7H12N2/c1-5(2)7-8-4-6(3)9-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyYOOBLXNOSDASOL-UHFFFAOYSA-N
MW124.19 g/mol
LogP1.16
Rot. Bonds1

About 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole

5-methylidene-2-propan-2-yl-1,4-dihydroimidazole (PubChem CID 22093118) has the molecular formula C7H12N2 and a molecular weight of 124.19 g/mol. Its IUPAC name is 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole.

Molecular Properties

Compound Name5-methylidene-2-propan-2-yl-1,4-dihydroimidazole
PubChem CID22093118
Molecular FormulaC7H12N2
Molecular Weight124.19 g/mol
Exact Mass124.10
IUPAC Name5-methylidene-2-propan-2-yl-1,4-dihydroimidazole
SMILESC=C1CN=C(C(C)C)N1
InChIInChI=1S/C7H12N2/c1-5(2)7-8-4-6(3)9-7/h5H,3-4H2,1-2H3,(H,8,9)
InChIKeyYOOBLXNOSDASOL-UHFFFAOYSA-N
XLogP1.16
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.19
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole?
The IUPAC name of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole (CID 22093118) is 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole.
What is the SMILES notation for 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole?
The canonical SMILES for 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole is C=C1CN=C(C(C)C)N1.
What is the InChIKey of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole?
The InChIKey is YOOBLXNOSDASOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2/c1-5(2)7-8-4-6(3)9-7/h5H,3-4H2,1-2H3,(H,8,9).
What are the key properties of 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole?
5-methylidene-2-propan-2-yl-1,4-dihydroimidazole has a molecular weight of 124.19 g/mol, XLogP of 1.16, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-2-propan-2-yl-1,4-dihydroimidazole is sourced from PubChem (CID 22093118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).