5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

C18H29N3 — CID 79498700

IUPAC5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29N3/c1-13(2)11-21-16(19)20-12-18(21,6)15-9-7-14(8-10-15)17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H2,19,20)
InChIKeyAJGVQRYTKPDUGC-UHFFFAOYSA-N
MW287.45 g/mol
LogP3.49
Rot. Bonds3

About 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine

5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (PubChem CID 79498700) has the molecular formula C18H29N3 and a molecular weight of 287.45 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
PubChem CID79498700
Molecular FormulaC18H29N3
Molecular Weight287.45 g/mol
Exact Mass287.24
IUPAC Name5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine
SMILESCC(C)CN1C(N)=NCC1(C)c1ccc(C(C)(C)C)cc1
InChIInChI=1S/C18H29N3/c1-13(2)11-21-16(19)20-12-18(21,6)15-9-7-14(8-10-15)17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H2,19,20)
InChIKeyAJGVQRYTKPDUGC-UHFFFAOYSA-N
XLogP3.49
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine (CID 79498700) is 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is CC(C)CN1C(N)=NCC1(C)c1ccc(C(C)(C)C)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
The InChIKey is AJGVQRYTKPDUGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3/c1-13(2)11-21-16(19)20-12-18(21,6)15-9-7-14(8-10-15)17(3,4)5/h7-10,13H,11-12H2,1-6H3,(H2,19,20).
What are the key properties of 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine?
5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine has a molecular weight of 287.45 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-5-methyl-1-(2-methylpropyl)-4H-imidazol-2-amine is sourced from PubChem (CID 79498700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).