4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole

C20H38N2 — CID 66723108

IUPAC4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)CCC)[nH]c1C(C)CCC
InChIInChI=1S/C20H38N2/c1-8-11-14-20(6,7)18-17(15(4)12-9-2)21-19(22-18)16(5)13-10-3/h15-16H,8-14H2,1-7H3,(H,21,22)
InChIKeyVUAGCBPJWCDVQF-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.68
Rot. Bonds10

About 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole

4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole (PubChem CID 66723108) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
PubChem CID66723108
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole
SMILESCCCCC(C)(C)c1nc(C(C)CCC)[nH]c1C(C)CCC
InChIInChI=1S/C20H38N2/c1-8-11-14-20(6,7)18-17(15(4)12-9-2)21-19(22-18)16(5)13-10-3/h15-16H,8-14H2,1-7H3,(H,21,22)
InChIKeyVUAGCBPJWCDVQF-UHFFFAOYSA-N
XLogP6.68
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.54
LogP ≤ 56.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

2,5-bis(3-methylbutan-2-yl)-4-(2-methylhexan-2-yl)-1H-imidazole
CID 66723113
2,4-bis(2-methylpentan-2-yl)-5-pentan-2-yl-1H-imidazole
CID 66723300
4-tert-butyl-5-(3-methylbutan-2-yl)-2-pentan-2-yl-1H-imidazole
CID 66723006
2,5-di(pentan-2-yl)-4-propan-2-yl-1H-imidazole
CID 66723389
2-butan-2-yl-4-tert-butyl-5-(2-methylhexan-2-yl)-1H-imidazole
CID 66723183
4-(2-methylhexan-2-yl)-2-(3-methylpentan-3-yl)-5-propan-2-yl-1H-imidazole
CID 66723308
5-(3-methylbutan-2-yl)-4-(2-methylpentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723031
2-butan-2-yl-5-(5-methylhexyl)-4-(2-methylpentan-2-yl)-1H-imidazole
CID 66723585
4,5-di(pentan-2-yl)-2-propan-2-yl-1H-imidazole
CID 66723333
2-butan-2-yl-4-tert-butyl-5-propan-2-yl-1H-imidazole
CID 66723348
5-(3-methylbutan-2-yl)-4-(2-methylheptan-2-yl)-2-(3-methylpentan-3-yl)-1H-imidazole
CID 66722987
2-(2-methylheptan-2-yl)-4-(2-methylhexan-2-yl)-5-propyl-1H-imidazole
CID 89497192

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole?
The IUPAC name of 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole (CID 66723108) is 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole.
What is the SMILES notation for 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole?
The canonical SMILES for 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole is CCCCC(C)(C)c1nc(C(C)CCC)[nH]c1C(C)CCC.
What is the InChIKey of 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole?
The InChIKey is VUAGCBPJWCDVQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-8-11-14-20(6,7)18-17(15(4)12-9-2)21-19(22-18)16(5)13-10-3/h15-16H,8-14H2,1-7H3,(H,21,22).
What are the key properties of 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole?
4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole has a molecular weight of 306.54 g/mol, XLogP of 6.68, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylhexan-2-yl)-2,5-di(pentan-2-yl)-1H-imidazole is sourced from PubChem (CID 66723108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).