2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole

C20H38N2 — CID 89497732

IUPAC2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCC(C)(C)c1cnc(CC(CCC(C)C)C(C)CC)[nH]1
InChIInChI=1S/C20H38N2/c1-8-12-20(6,7)18-14-21-19(22-18)13-17(16(5)9-2)11-10-15(3)4/h14-17H,8-13H2,1-7H3,(H,21,22)
InChIKeyONVZFVGZQGEPTP-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.13
Rot. Bonds10

About 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole

2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole (PubChem CID 89497732) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole
PubChem CID89497732
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCC(C)(C)c1cnc(CC(CCC(C)C)C(C)CC)[nH]1
InChIInChI=1S/C20H38N2/c1-8-12-20(6,7)18-14-21-19(22-18)13-17(16(5)9-2)11-10-15(3)4/h14-17H,8-13H2,1-7H3,(H,21,22)
InChIKeyONVZFVGZQGEPTP-UHFFFAOYSA-N
XLogP6.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole?
The IUPAC name of 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole (CID 89497732) is 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole?
The canonical SMILES for 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole is CCCC(C)(C)c1cnc(CC(CCC(C)C)C(C)CC)[nH]1.
What is the InChIKey of 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole?
The InChIKey is ONVZFVGZQGEPTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-8-12-20(6,7)18-14-21-19(22-18)13-17(16(5)9-2)11-10-15(3)4/h14-17H,8-13H2,1-7H3,(H,21,22).
What are the key properties of 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole?
2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.13, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-butan-2-yl-5-methylhexyl)-5-(2-methylpentan-2-yl)-1H-imidazole is sourced from PubChem (CID 89497732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).