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

C17H25N3 — CID 62219728

IUPAC3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2cc(C)ccc2C)c(N)n1C(C)(C)C
InChIInChI=1S/C17H25N3/c1-7-14-19-15(16(18)20(14)17(4,5)6)13-10-11(2)8-9-12(13)3/h8-10H,7,18H2,1-6H3
InChIKeyIKQAVGFVKSTBLS-UHFFFAOYSA-N
MW271.41 g/mol
LogP4.07
Rot. Bonds2

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

3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine (PubChem CID 62219728) has the molecular formula C17H25N3 and a molecular weight of 271.41 g/mol. Its IUPAC name is 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine
PubChem CID62219728
Molecular FormulaC17H25N3
Molecular Weight271.41 g/mol
Exact Mass271.20
IUPAC Name3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine
SMILESCCc1nc(-c2cc(C)ccc2C)c(N)n1C(C)(C)C
InChIInChI=1S/C17H25N3/c1-7-14-19-15(16(18)20(14)17(4,5)6)13-10-11(2)8-9-12(13)3/h8-10H,7,18H2,1-6H3
InChIKeyIKQAVGFVKSTBLS-UHFFFAOYSA-N
XLogP4.07
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.41
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine (CID 62219728) is 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine is CCc1nc(-c2cc(C)ccc2C)c(N)n1C(C)(C)C.
What is the InChIKey of 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine?
The InChIKey is IKQAVGFVKSTBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3/c1-7-14-19-15(16(18)20(14)17(4,5)6)13-10-11(2)8-9-12(13)3/h8-10H,7,18H2,1-6H3.
What are the key properties of 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine?
3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine has a molecular weight of 271.41 g/mol, XLogP of 4.07, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-(2,5-dimethylphenyl)-2-ethylimidazol-4-amine is sourced from PubChem (CID 62219728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).