4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole

C9H16N2 — CID 89368790

IUPAC4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole
SMILESCC1N=CC(CC(C)(C)C)=N1
InChIInChI=1S/C9H16N2/c1-7-10-6-8(11-7)5-9(2,3)4/h6-7H,5H2,1-4H3
InChIKeySBTCETBPSVUEKS-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.29
Rot. Bonds1

About 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole

4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole (PubChem CID 89368790) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole.

Molecular Properties

Compound Name4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole
PubChem CID89368790
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole
SMILESCC1N=CC(CC(C)(C)C)=N1
InChIInChI=1S/C9H16N2/c1-7-10-6-8(11-7)5-9(2,3)4/h6-7H,5H2,1-4H3
InChIKeySBTCETBPSVUEKS-UHFFFAOYSA-N
XLogP2.29
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole?
The IUPAC name of 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole (CID 89368790) is 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole.
What is the SMILES notation for 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole?
The canonical SMILES for 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole is CC1N=CC(CC(C)(C)C)=N1.
What is the InChIKey of 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole?
The InChIKey is SBTCETBPSVUEKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-7-10-6-8(11-7)5-9(2,3)4/h6-7H,5H2,1-4H3.
What are the key properties of 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole?
4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole is sourced from PubChem (CID 89368790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).