3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole

C11H20N2 — CID 130432034

IUPAC3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole
SMILESC=C1NC(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C11H20N2/c1-7(2)10-11(8(3)4)13(6)9(5)12-10/h7-8,12H,5H2,1-4,6H3
InChIKeyPVGXYKQWSXROPO-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.52
Rot. Bonds2

About 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole

3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole (PubChem CID 130432034) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole
PubChem CID130432034
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole
SMILESC=C1NC(C(C)C)=C(C(C)C)N1C
InChIInChI=1S/C11H20N2/c1-7(2)10-11(8(3)4)13(6)9(5)12-10/h7-8,12H,5H2,1-4,6H3
InChIKeyPVGXYKQWSXROPO-UHFFFAOYSA-N
XLogP2.52
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole?
The IUPAC name of 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole (CID 130432034) is 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole.
What is the SMILES notation for 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole?
The canonical SMILES for 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole is C=C1NC(C(C)C)=C(C(C)C)N1C.
What is the InChIKey of 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole?
The InChIKey is PVGXYKQWSXROPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-7(2)10-11(8(3)4)13(6)9(5)12-10/h7-8,12H,5H2,1-4,6H3.
What are the key properties of 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole?
3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole has a molecular weight of 180.29 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-methylidene-4,5-di(propan-2-yl)-1H-imidazole is sourced from PubChem (CID 130432034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).