4-(3,3-dimethylbutyl)-2H-imidazole

C9H16N2 — CID 58816339

IUPAC4-(3,3-dimethylbutyl)-2H-imidazole
SMILESCC(C)(C)CCC1=NCN=C1
InChIInChI=1S/C9H16N2/c1-9(2,3)5-4-8-6-10-7-11-8/h6H,4-5,7H2,1-3H3
InChIKeyFGEIJQFQOGPNCK-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.30
Rot. Bonds2

About 4-(3,3-dimethylbutyl)-2H-imidazole

4-(3,3-dimethylbutyl)-2H-imidazole (PubChem CID 58816339) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 4-(3,3-dimethylbutyl)-2H-imidazole.

Molecular Properties

Compound Name4-(3,3-dimethylbutyl)-2H-imidazole
PubChem CID58816339
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name4-(3,3-dimethylbutyl)-2H-imidazole
SMILESCC(C)(C)CCC1=NCN=C1
InChIInChI=1S/C9H16N2/c1-9(2,3)5-4-8-6-10-7-11-8/h6H,4-5,7H2,1-3H3
InChIKeyFGEIJQFQOGPNCK-UHFFFAOYSA-N
XLogP2.30
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-2,5-di-tert.-butyl-2H-imidazol
CID 10679367
(2S)-2,4-ditert-butyl-2-methylimidazole
CID 5325307
4-Butyl-2,2-dimethylimidazole
CID 17865340
4-tert-butyl-2H-imidazole
CID 22975259
2,4,5-tri(propan-2-yl)-2H-imidazole
CID 57597535
4-tert-butyl-2-methyl-2H-imidazole
CID 58186444
4,5-ditert-butyl-2H-imidazole
CID 59842778
4-tert-butyl-5-methyl-2H-imidazole
CID 68046274
5,5-dimethyl-N-propylhexan-2-imine
CID 89041901
4-(2,2-dimethylpropyl)-5-methyl-2H-imidazole
CID 89177783
4-(2,2-dimethylpropyl)-2H-imidazole
CID 89177822
4-(2,2-dimethylpropyl)-2-methyl-2H-imidazole
CID 89368790

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethylbutyl)-2H-imidazole?
The IUPAC name of 4-(3,3-dimethylbutyl)-2H-imidazole (CID 58816339) is 4-(3,3-dimethylbutyl)-2H-imidazole.
What is the SMILES notation for 4-(3,3-dimethylbutyl)-2H-imidazole?
The canonical SMILES for 4-(3,3-dimethylbutyl)-2H-imidazole is CC(C)(C)CCC1=NCN=C1.
What is the InChIKey of 4-(3,3-dimethylbutyl)-2H-imidazole?
The InChIKey is FGEIJQFQOGPNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-9(2,3)5-4-8-6-10-7-11-8/h6H,4-5,7H2,1-3H3.
What are the key properties of 4-(3,3-dimethylbutyl)-2H-imidazole?
4-(3,3-dimethylbutyl)-2H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.30, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethylbutyl)-2H-imidazole is sourced from PubChem (CID 58816339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).