2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine

C18H27N3 — CID 63470006

IUPAC2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine
SMILESCc1cc(C)cc(-c2nc(C(C)(C)C)n(C(C)C)c2N)c1
InChIInChI=1S/C18H27N3/c1-11(2)21-16(19)15(20-17(21)18(5,6)7)14-9-12(3)8-13(4)10-14/h8-11H,19H2,1-7H3
InChIKeyHYYUCMJMECBACE-UHFFFAOYSA-N
MW285.44 g/mol
LogP4.63
Rot. Bonds2

About 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine

2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 63470006) has the molecular formula C18H27N3 and a molecular weight of 285.44 g/mol. Its IUPAC name is 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID63470006
Molecular FormulaC18H27N3
Molecular Weight285.44 g/mol
Exact Mass285.22
IUPAC Name2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine
SMILESCc1cc(C)cc(-c2nc(C(C)(C)C)n(C(C)C)c2N)c1
InChIInChI=1S/C18H27N3/c1-11(2)21-16(19)15(20-17(21)18(5,6)7)14-9-12(3)8-13(4)10-14/h8-11H,19H2,1-7H3
InChIKeyHYYUCMJMECBACE-UHFFFAOYSA-N
XLogP4.63
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.44
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine (CID 63470006) is 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine is Cc1cc(C)cc(-c2nc(C(C)(C)C)n(C(C)C)c2N)c1.
What is the InChIKey of 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is HYYUCMJMECBACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3/c1-11(2)21-16(19)15(20-17(21)18(5,6)7)14-9-12(3)8-13(4)10-14/h8-11H,19H2,1-7H3.
What are the key properties of 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine?
2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 285.44 g/mol, XLogP of 4.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(3,5-dimethylphenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 63470006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).