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

C8H14N2 — CID 58530889

IUPAC2-(2,2-dimethylpropyl)-4H-imidazole
SMILESCC(C)(C)CC1=NCC=N1
InChIInChI=1S/C8H14N2/c1-8(2,3)6-7-9-4-5-10-7/h4H,5-6H2,1-3H3
InChIKeyFFCWIMNDQOYWTJ-UHFFFAOYSA-N
MW138.21 g/mol
LogP1.91
Rot. Bonds1

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

2-(2,2-dimethylpropyl)-4H-imidazole (PubChem CID 58530889) has the molecular formula C8H14N2 and a molecular weight of 138.21 g/mol. Its IUPAC name is 2-(2,2-dimethylpropyl)-4H-imidazole.

Molecular Properties

Compound Name2-(2,2-dimethylpropyl)-4H-imidazole
PubChem CID58530889
Molecular FormulaC8H14N2
Molecular Weight138.21 g/mol
Exact Mass138.12
IUPAC Name2-(2,2-dimethylpropyl)-4H-imidazole
SMILESCC(C)(C)CC1=NCC=N1
InChIInChI=1S/C8H14N2/c1-8(2,3)6-7-9-4-5-10-7/h4H,5-6H2,1-3H3
InChIKeyFFCWIMNDQOYWTJ-UHFFFAOYSA-N
XLogP1.91
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.21
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2,2-dimethylpropyl)-4H-imidazole?
The IUPAC name of 2-(2,2-dimethylpropyl)-4H-imidazole (CID 58530889) is 2-(2,2-dimethylpropyl)-4H-imidazole.
What is the SMILES notation for 2-(2,2-dimethylpropyl)-4H-imidazole?
The canonical SMILES for 2-(2,2-dimethylpropyl)-4H-imidazole is CC(C)(C)CC1=NCC=N1.
What is the InChIKey of 2-(2,2-dimethylpropyl)-4H-imidazole?
The InChIKey is FFCWIMNDQOYWTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14N2/c1-8(2,3)6-7-9-4-5-10-7/h4H,5-6H2,1-3H3.
What are the key properties of 2-(2,2-dimethylpropyl)-4H-imidazole?
2-(2,2-dimethylpropyl)-4H-imidazole has a molecular weight of 138.21 g/mol, XLogP of 1.91, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,2-dimethylpropyl)-4H-imidazole is sourced from PubChem (CID 58530889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).