2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole

C20H38N2 — CID 66723113

IUPAC2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)C(C)C)[nH]c1C(C)C(C)C
InChIInChI=1S/C20H38N2/c1-10-11-12-20(8,9)18-17(15(6)13(2)3)21-19(22-18)16(7)14(4)5/h13-16H,10-12H2,1-9H3,(H,21,22)
InChIKeyDAOZZRGRAHSUBR-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.40
Rot. Bonds8

About 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole

2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole (PubChem CID 66723113) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
PubChem CID66723113
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)C(C)C)[nH]c1C(C)C(C)C
InChIInChI=1S/C20H38N2/c1-10-11-12-20(8,9)18-17(15(6)13(2)3)21-19(22-18)16(7)14(4)5/h13-16H,10-12H2,1-9H3,(H,21,22)
InChIKeyDAOZZRGRAHSUBR-UHFFFAOYSA-N
XLogP6.40
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 ≤ 56.40
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
4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
CID 66723108
5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66722987
4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
CID 66723006
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308
2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
CID 66723183
5-(3-methylbutan-2-yl)-2-(2-methylpentan-2-yl)-4-(3-methylpentan-3-yl)-1H-imidazole
CID 66723353
2-(2-methylheptan-2-yl)-4-(2-methylhexan-2-yl)-5-propyl-1H-imidazole
CID 89497192
4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723647
5-(3-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
CID 152581875
2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66722943
2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
CID 66723300

Frequently Asked Questions

What is the IUPAC name of 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole?
The IUPAC name of 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole (CID 66723113) is 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole.
What is the SMILES notation for 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole?
The canonical SMILES for 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole is CCCCC(C)(C)c1nc(C(C)C(C)C)[nH]c1C(C)C(C)C.
What is the InChIKey of 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole?
The InChIKey is DAOZZRGRAHSUBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-10-11-12-20(8,9)18-17(15(6)13(2)3)21-19(22-18)16(7)14(4)5/h13-16H,10-12H2,1-9H3,(H,21,22).
What are the key properties of 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole?
2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.40, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole is sourced from PubChem (CID 66723113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).