2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole

C14H26N2 — CID 140580734

IUPAC2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCC(C)(C)c1ncc(C(C)(CC)CC)[nH]1
InChIInChI=1S/C14H26N2/c1-7-13(4,5)12-15-10-11(16-12)14(6,8-2)9-3/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyPYHYIOBSLYNJBS-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.18
Rot. Bonds5

About 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole

2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole (PubChem CID 140580734) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
PubChem CID140580734
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCC(C)(C)c1ncc(C(C)(CC)CC)[nH]1
InChIInChI=1S/C14H26N2/c1-7-13(4,5)12-15-10-11(16-12)14(6,8-2)9-3/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyPYHYIOBSLYNJBS-UHFFFAOYSA-N
XLogP4.18
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-methylpentan-3-yl)-1H-imidazol-2-amine
CID 19911883
2-(2-methylbutan-2-yl)-5-propan-2-yl-1H-imidazole
CID 68753870
5-tert-butyl-2-(2-methylpentan-2-yl)-1H-imidazole
CID 150315714
5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole
CID 142399645
2-tert-butyl-5-(trifluoromethyl)-1H-imidazole
CID 90337864
2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 66723586
4,5-diethyl-2-(2-methylbutan-2-yl)-1H-imidazole
CID 68746831
2-ethynyl-5-(3-methylnonan-3-yl)-1H-imidazole
CID 126513989
1-(2-tert-butyl-1H-imidazol-5-yl)-1-trimethylsilylethanol
CID 174581390
5-(2-methylheptan-2-yl)-2-propan-2-yl-1H-imidazole
CID 140580733
2-butyl-5-(2-methylpentan-2-yl)-1H-imidazole
CID 172810677
5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole
CID 62677101

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The IUPAC name of 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole (CID 140580734) is 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole.
What is the SMILES notation for 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The canonical SMILES for 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole is CCC(C)(C)c1ncc(C(C)(CC)CC)[nH]1.
What is the InChIKey of 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
The InChIKey is PYHYIOBSLYNJBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-7-13(4,5)12-15-10-11(16-12)14(6,8-2)9-3/h10H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole?
2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 4.18, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole is sourced from PubChem (CID 140580734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).