5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine

C14H19N3 — CID 55048915

IUPAC5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2cccc(C)c2C)c(N)n1C
InChIInChI=1S/C14H19N3/c1-5-12-16-13(14(15)17(12)4)11-8-6-7-9(2)10(11)3/h6-8H,5,15H2,1-4H3
InChIKeyIGZZHNNNKZCCLJ-UHFFFAOYSA-N
MW229.33 g/mol
LogP2.85
Rot. Bonds2

About 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine

5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine (PubChem CID 55048915) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine.

Molecular Properties

Compound Name5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine
PubChem CID55048915
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine
SMILESCCc1nc(-c2cccc(C)c2C)c(N)n1C
InChIInChI=1S/C14H19N3/c1-5-12-16-13(14(15)17(12)4)11-8-6-7-9(2)10(11)3/h6-8H,5,15H2,1-4H3
InChIKeyIGZZHNNNKZCCLJ-UHFFFAOYSA-N
XLogP2.85
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine?
The IUPAC name of 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine (CID 55048915) is 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine.
What is the SMILES notation for 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine?
The canonical SMILES for 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine is CCc1nc(-c2cccc(C)c2C)c(N)n1C.
What is the InChIKey of 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine?
The InChIKey is IGZZHNNNKZCCLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-5-12-16-13(14(15)17(12)4)11-8-6-7-9(2)10(11)3/h6-8H,5,15H2,1-4H3.
What are the key properties of 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine?
5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 2.85, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dimethylphenyl)-2-ethyl-3-methylimidazol-4-amine is sourced from PubChem (CID 55048915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).