5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole

C14H26N2 — CID 142399645

IUPAC5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole
SMILESCCC(C)(C)c1ncc(CCC(C)(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-7-14(5,6)12-15-10-11(16-12)8-9-13(2,3)4/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyJYSLASXOVYSUKN-UHFFFAOYSA-N
MW222.38 g/mol
LogP4.08
Rot. Bonds4

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

5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole (PubChem CID 142399645) has the molecular formula C14H26N2 and a molecular weight of 222.38 g/mol. Its IUPAC name is 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole
PubChem CID142399645
Molecular FormulaC14H26N2
Molecular Weight222.38 g/mol
Exact Mass222.21
IUPAC Name5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole
SMILESCCC(C)(C)c1ncc(CCC(C)(C)C)[nH]1
InChIInChI=1S/C14H26N2/c1-7-14(5,6)12-15-10-11(16-12)8-9-13(2,3)4/h10H,7-9H2,1-6H3,(H,15,16)
InChIKeyJYSLASXOVYSUKN-UHFFFAOYSA-N
XLogP4.08
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.38
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 140580734
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
5,6-dimethyl-2-(2-methylbutan-2-yl)-1H-benzimidazole
CID 62677101
N-[[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]methyl]ethanamine
CID 79198081
[5-(3,3-dimethylbutyl)pyridazin-3-yl]methanamine
CID 142361247
6-(3,3-dimethylbutyl)-1,2-dihydropyridazine-3,4-dione
CID 71655536
N-[[2-(trichloromethyl)-1H-imidazol-5-yl]methyl]ethanamine
CID 165462427
1-[2-(2-methoxypropan-2-yl)-1H-imidazol-5-yl]-N-methylmethanamine
CID 79198080
5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
CID 152581875
2-(2-methylbutan-2-yl)-4,5-dipropyl-1H-imidazole
CID 68752618
3-[2-(trifluoromethyl)-1H-imidazol-5-yl]propanal
CID 135397293

Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole?
The IUPAC name of 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole (CID 142399645) is 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole?
The canonical SMILES for 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole is CCC(C)(C)c1ncc(CCC(C)(C)C)[nH]1.
What is the InChIKey of 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole?
The InChIKey is JYSLASXOVYSUKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26N2/c1-7-14(5,6)12-15-10-11(16-12)8-9-13(2,3)4/h10H,7-9H2,1-6H3,(H,15,16).
What are the key properties of 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole?
5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole has a molecular weight of 222.38 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylbutyl)-2-(2-methylbutan-2-yl)-1H-imidazole is sourced from PubChem (CID 142399645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).