5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole

C9H16N2 — CID 143089702

IUPAC5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole
SMILESCCC(C)(C)c1nc[nH]c1C
InChIInChI=1S/C9H16N2/c1-5-9(3,4)8-7(2)10-6-11-8/h6H,5H2,1-4H3,(H,10,11)
InChIKeyYLSJZJYMRXYYMB-UHFFFAOYSA-N
MW152.24 g/mol
LogP2.41
Rot. Bonds2

About 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole

5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole (PubChem CID 143089702) has the molecular formula C9H16N2 and a molecular weight of 152.24 g/mol. Its IUPAC name is 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole
PubChem CID143089702
Molecular FormulaC9H16N2
Molecular Weight152.24 g/mol
Exact Mass152.13
IUPAC Name5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole
SMILESCCC(C)(C)c1nc[nH]c1C
InChIInChI=1S/C9H16N2/c1-5-9(3,4)8-7(2)10-6-11-8/h6H,5H2,1-4H3,(H,10,11)
InChIKeyYLSJZJYMRXYYMB-UHFFFAOYSA-N
XLogP2.41
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

3-methyl-3-(5-methyl-1H-imidazol-4-yl)butanamide
CID 70045793
1-(5-methyl-1H-imidazol-4-yl)propane-1-thione
CID 54568061
4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole
CID 172728467
2-chloro-3-(2-methylbutan-2-yl)pyrazine
CID 130847385
(4-tert-butyl-1H-imidazol-5-yl)methanol
CID 22055226
5-methyl-1H-imidazole-4-thiol
CID 54116673
5-methyl-1H-imidazol-4-ol
CID 54352844
2-methyl-1-[(5-methyl-1H-imidazol-4-yl)methylamino]propan-2-ol
CID 65102733
2-(4-tert-butyl-1H-imidazol-5-yl)propane-2-thiol
CID 170289880
6-methyl-5-propyl-1H-pyrimidine-4-thione
CID 106515436
4-heptyl-5-methyl-1H-imidazole
CID 89069470
2-ethyl-2-[[(5-methyl-1H-imidazol-4-yl)methylamino]methyl]butan-1-ol
CID 106251314

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole?
The IUPAC name of 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole (CID 143089702) is 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole is CCC(C)(C)c1nc[nH]c1C.
What is the InChIKey of 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole?
The InChIKey is YLSJZJYMRXYYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2/c1-5-9(3,4)8-7(2)10-6-11-8/h6H,5H2,1-4H3,(H,10,11).
What are the key properties of 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole?
5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole has a molecular weight of 152.24 g/mol, XLogP of 2.41, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methylbutan-2-yl)-1H-imidazole is sourced from PubChem (CID 143089702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).