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

C20H38N2 — CID 66723300

IUPAC2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
SMILESCCCC(C)c1[nH]c(C(C)(C)CCC)nc1C(C)(C)CCC
InChIInChI=1S/C20H38N2/c1-9-12-15(4)16-17(19(5,6)13-10-2)22-18(21-16)20(7,8)14-11-3/h15H,9-14H2,1-8H3,(H,21,22)
InChIKeyUTLKZYOCTJHOGD-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.47
Rot. Bonds9

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

2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole (PubChem CID 66723300) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
PubChem CID66723300
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
SMILESCCCC(C)c1[nH]c(C(C)(C)CCC)nc1C(C)(C)CCC
InChIInChI=1S/C20H38N2/c1-9-12-15(4)16-17(19(5,6)13-10-2)22-18(21-16)20(7,8)14-11-3/h15H,9-14H2,1-8H3,(H,21,22)
InChIKeyUTLKZYOCTJHOGD-UHFFFAOYSA-N
XLogP6.47
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole?
The IUPAC name of 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole (CID 66723300) is 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole.
What is the SMILES notation for 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole?
The canonical SMILES for 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole is CCCC(C)c1[nH]c(C(C)(C)CCC)nc1C(C)(C)CCC.
What is the InChIKey of 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole?
The InChIKey is UTLKZYOCTJHOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-9-12-15(4)16-17(19(5,6)13-10-2)22-18(21-16)20(7,8)14-11-3/h15H,9-14H2,1-8H3,(H,21,22).
What are the key properties of 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole?
2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.47, 9 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole is sourced from PubChem (CID 66723300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).