4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole

C11H20N2 — CID 118688818

IUPAC4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole
SMILESCc1cn(CC(C)C)c(C(C)C)n1
InChIInChI=1S/C11H20N2/c1-8(2)6-13-7-10(5)12-11(13)9(3)4/h7-9H,6H2,1-5H3
InChIKeyVRGNCHASPKZJOM-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.97
Rot. Bonds3

About 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole

4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole (PubChem CID 118688818) has the molecular formula C11H20N2 and a molecular weight of 180.29 g/mol. Its IUPAC name is 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole.

Molecular Properties

Compound Name4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole
PubChem CID118688818
Molecular FormulaC11H20N2
Molecular Weight180.29 g/mol
Exact Mass180.16
IUPAC Name4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole
SMILESCc1cn(CC(C)C)c(C(C)C)n1
InChIInChI=1S/C11H20N2/c1-8(2)6-13-7-10(5)12-11(13)9(3)4/h7-9H,6H2,1-5H3
InChIKeyVRGNCHASPKZJOM-UHFFFAOYSA-N
XLogP2.97
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole?
The IUPAC name of 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole (CID 118688818) is 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole.
What is the SMILES notation for 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole?
The canonical SMILES for 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole is Cc1cn(CC(C)C)c(C(C)C)n1.
What is the InChIKey of 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole?
The InChIKey is VRGNCHASPKZJOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2/c1-8(2)6-13-7-10(5)12-11(13)9(3)4/h7-9H,6H2,1-5H3.
What are the key properties of 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole?
4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole has a molecular weight of 180.29 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(2-methylpropyl)-2-propan-2-ylimidazole is sourced from PubChem (CID 118688818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).