5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole

C20H38N2 — CID 66723353

IUPAC5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)(CC)CC)c(C(C)C(C)C)[nH]1
InChIInChI=1S/C20H38N2/c1-10-13-19(7,8)18-21-16(15(6)14(4)5)17(22-18)20(9,11-2)12-3/h14-15H,10-13H2,1-9H3,(H,21,22)
InChIKeyGFSBMYUPTOHDDB-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.32
Rot. Bonds8

About 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole

5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole (PubChem CID 66723353) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole
PubChem CID66723353
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)(CC)CC)c(C(C)C(C)C)[nH]1
InChIInChI=1S/C20H38N2/c1-10-13-19(7,8)18-21-16(15(6)14(4)5)17(22-18)20(9,11-2)12-3/h14-15H,10-13H2,1-9H3,(H,21,22)
InChIKeyGFSBMYUPTOHDDB-UHFFFAOYSA-N
XLogP6.32
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole?
The IUPAC name of 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole (CID 66723353) is 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole.
What is the SMILES notation for 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole?
The canonical SMILES for 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole is CCCC(C)(C)c1nc(C(C)(CC)CC)c(C(C)C(C)C)[nH]1.
What is the InChIKey of 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole?
The InChIKey is GFSBMYUPTOHDDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-10-13-19(7,8)18-21-16(15(6)14(4)5)17(22-18)20(9,11-2)12-3/h14-15H,10-13H2,1-9H3,(H,21,22).
What are the key properties of 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole?
5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.32, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole is sourced from PubChem (CID 66723353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).