2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole

C20H38N2 — CID 66722943

IUPAC2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1[nH]c(C(C)(C)C)nc1C(C)(C)CCC
InChIInChI=1S/C20H38N2/c1-10-12-14-20(8,9)16-15(19(6,7)13-11-2)21-17(22-16)18(3,4)5/h10-14H2,1-9H3,(H,21,22)
InChIKeyRJNPFGZGRWRATF-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.25
Rot. Bonds7

About 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole

2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole (PubChem CID 66722943) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
PubChem CID66722943
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1[nH]c(C(C)(C)C)nc1C(C)(C)CCC
InChIInChI=1S/C20H38N2/c1-10-12-14-20(8,9)16-15(19(6,7)13-11-2)21-17(22-16)18(3,4)5/h10-14H2,1-9H3,(H,21,22)
InChIKeyRJNPFGZGRWRATF-UHFFFAOYSA-N
XLogP6.25
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

4-(2-methylheptan-2-yl)-5-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66723143
4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylhexan-2-yl)-1H-imidazole
CID 66723018
5-(2-methylbutan-2-yl)-2,4-bis(2-methylheptan-2-yl)-1H-imidazole
CID 66722905
5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 159059126
4,5-bis(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723647
2-tert-butyl-4-(2-methylbutan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 66723586
2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
CID 66723183
4-tert-butyl-2-(2-methylheptan-2-yl)-5-(3-methylpentan-3-yl)-1H-imidazole
CID 162062572
2-(2-methylheptan-2-yl)-4-(2-methylhexan-2-yl)-5-propyl-1H-imidazole
CID 89497192
2-butyl-5-(2-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-1H-imidazole
CID 174693367
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308
2,4,5-tritert-butyl-1H-imidazole
CID 58088902

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole?
The IUPAC name of 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole (CID 66722943) is 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole?
The canonical SMILES for 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole is CCCCC(C)(C)c1[nH]c(C(C)(C)C)nc1C(C)(C)CCC.
What is the InChIKey of 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole?
The InChIKey is RJNPFGZGRWRATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-10-12-14-20(8,9)16-15(19(6,7)13-11-2)21-17(22-16)18(3,4)5/h10-14H2,1-9H3,(H,21,22).
What are the key properties of 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole?
2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.25, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(2-methylhexan-2-yl)-4-(2-methylpentan-2-yl)-1H-imidazole is sourced from PubChem (CID 66722943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).