5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine

C16H23N3 — CID 62226559

IUPAC5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)c(N)n1C
InChIInChI=1S/C16H23N3/c1-6-13-18-14(15(17)19(13)5)11-7-9-12(10-8-11)16(2,3)4/h7-10H,6,17H2,1-5H3
InChIKeyPRROFEGGYSPSIP-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.53
Rot. Bonds2

About 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine

5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine (PubChem CID 62226559) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine
PubChem CID62226559
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2ccc(C(C)(C)C)cc2)c(N)n1C
InChIInChI=1S/C16H23N3/c1-6-13-18-14(15(17)19(13)5)11-7-9-12(10-8-11)16(2,3)4/h7-10H,6,17H2,1-5H3
InChIKeyPRROFEGGYSPSIP-UHFFFAOYSA-N
XLogP3.53
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.53
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)-2-ethyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine (CID 62226559) is 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine is CCc1nc(-c2ccc(C(C)(C)C)cc2)c(N)n1C.
What is the InChIKey of 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine?
The InChIKey is PRROFEGGYSPSIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-6-13-18-14(15(17)19(13)5)11-7-9-12(10-8-11)16(2,3)4/h7-10H,6,17H2,1-5H3.
What are the key properties of 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine?
5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.53, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-2-ethyl-3-methylimidazol-4-amine is sourced from PubChem (CID 62226559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).