4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole

C20H38N2 — CID 66722858

IUPAC4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CC)[nH]1
InChIInChI=1S/C20H38N2/c1-10-12-13-14-20(8,9)17-21-15(18(3,4)5)16(22-17)19(6,7)11-2/h10-14H2,1-9H3,(H,21,22)
InChIKeyOUNFBTCCCCRVFH-UHFFFAOYSA-N
MW306.54 g/mol
LogP6.25
Rot. Bonds7

About 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole

4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole (PubChem CID 66722858) has the molecular formula C20H38N2 and a molecular weight of 306.54 g/mol. Its IUPAC name is 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
PubChem CID66722858
Molecular FormulaC20H38N2
Molecular Weight306.54 g/mol
Exact Mass306.30
IUPAC Name4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole
SMILESCCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CC)[nH]1
InChIInChI=1S/C20H38N2/c1-10-12-13-14-20(8,9)17-21-15(18(3,4)5)16(22-17)19(6,7)11-2/h10-14H2,1-9H3,(H,21,22)
InChIKeyOUNFBTCCCCRVFH-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
The IUPAC name of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole (CID 66722858) is 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole.
What is the SMILES notation for 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
The canonical SMILES for 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole is CCCCCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)CC)[nH]1.
What is the InChIKey of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
The InChIKey is OUNFBTCCCCRVFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H38N2/c1-10-12-13-14-20(8,9)17-21-15(18(3,4)5)16(22-17)19(6,7)11-2/h10-14H2,1-9H3,(H,21,22).
What are the key properties of 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole?
4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-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 4-tert-butyl-5-(2-methylbutan-2-yl)-2-(2-methylheptan-2-yl)-1H-imidazole is sourced from PubChem (CID 66722858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).