3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine

C15H21N3 — CID 55067062

IUPAC3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine
SMILESCCc1ccccc1-c1ncn(C(C)(C)C)c1N
InChIInChI=1S/C15H21N3/c1-5-11-8-6-7-9-12(11)13-14(16)18(10-17-13)15(2,3)4/h6-10H,5,16H2,1-4H3
InChIKeyYDLNATWVRCDKJL-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.45
Rot. Bonds2

About 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine

3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine (PubChem CID 55067062) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine
PubChem CID55067062
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine
SMILESCCc1ccccc1-c1ncn(C(C)(C)C)c1N
InChIInChI=1S/C15H21N3/c1-5-11-8-6-7-9-12(11)13-14(16)18(10-17-13)15(2,3)4/h6-10H,5,16H2,1-4H3
InChIKeyYDLNATWVRCDKJL-UHFFFAOYSA-N
XLogP3.45
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.45
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-ethylphenyl)imidazol-4-amine?
The IUPAC name of 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine (CID 55067062) is 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine?
The canonical SMILES for 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine is CCc1ccccc1-c1ncn(C(C)(C)C)c1N.
What is the InChIKey of 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine?
The InChIKey is YDLNATWVRCDKJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-11-8-6-7-9-12(11)13-14(16)18(10-17-13)15(2,3)4/h6-10H,5,16H2,1-4H3.
What are the key properties of 3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine?
3-tert-butyl-5-(2-ethylphenyl)imidazol-4-amine has a molecular weight of 243.35 g/mol, XLogP of 3.45, 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-ethylphenyl)imidazol-4-amine is sourced from PubChem (CID 55067062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).