4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole

C18H34N2 — CID 66723647

IUPAC4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)C)[nH]c1C(C)(C)CCC
InChIInChI=1S/C18H34N2/c1-9-11-17(5,6)14-15(18(7,8)12-10-2)20-16(19-14)13(3)4/h13H,9-12H2,1-8H3,(H,19,20)
InChIKeyBAGSYHZUOXGDGZ-UHFFFAOYSA-N
MW278.48 g/mol
LogP5.69
Rot. Bonds7

About 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole

4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole (PubChem CID 66723647) has the molecular formula C18H34N2 and a molecular weight of 278.48 g/mol. Its IUPAC name is 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
PubChem CID66723647
Molecular FormulaC18H34N2
Molecular Weight278.48 g/mol
Exact Mass278.27
IUPAC Name4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
SMILESCCCC(C)(C)c1nc(C(C)C)[nH]c1C(C)(C)CCC
InChIInChI=1S/C18H34N2/c1-9-11-17(5,6)14-15(18(7,8)12-10-2)20-16(19-14)13(3)4/h13H,9-12H2,1-8H3,(H,19,20)
InChIKeyBAGSYHZUOXGDGZ-UHFFFAOYSA-N
XLogP5.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.48
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-(3-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723031
2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
CID 66723183
2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66722943
2-butan-2-yl-5-(5-methylhexyl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66723585
2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
CID 66723300
4-(2-methylpentan-2-yl)-5-propan-2-yl-1H-imidazole
CID 172728467
2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
CID 66723113
4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66723143
4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
CID 66723108
5-(2-methylbutan-2-yl)-2,4-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722905
5-butan-2-yl-2-(2-methylpentan-2-yl)-4-propan-2-yl-1H-imidazole
CID 66723609
5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 159059126

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole?
The IUPAC name of 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole (CID 66723647) is 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole.
What is the SMILES notation for 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole?
The canonical SMILES for 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole is CCCC(C)(C)c1nc(C(C)C)[nH]c1C(C)(C)CCC.
What is the InChIKey of 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole?
The InChIKey is BAGSYHZUOXGDGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H34N2/c1-9-11-17(5,6)14-15(18(7,8)12-10-2)20-16(19-14)13(3)4/h13H,9-12H2,1-8H3,(H,19,20).
What are the key properties of 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole?
4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole has a molecular weight of 278.48 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole is sourced from PubChem (CID 66723647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).