5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine

C14H19N3 — CID 62390199

IUPAC5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine
SMILESCCc1ccccc1-c1ncn(C(C)C)c1N
InChIInChI=1S/C14H19N3/c1-4-11-7-5-6-8-12(11)13-14(15)17(9-16-13)10(2)3/h5-10H,4,15H2,1-3H3
InChIKeyGZNXXQHGOWNNJL-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.28
Rot. Bonds3

About 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine

5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine (PubChem CID 62390199) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine.

Molecular Properties

Compound Name5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine
PubChem CID62390199
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine
SMILESCCc1ccccc1-c1ncn(C(C)C)c1N
InChIInChI=1S/C14H19N3/c1-4-11-7-5-6-8-12(11)13-14(15)17(9-16-13)10(2)3/h5-10H,4,15H2,1-3H3
InChIKeyGZNXXQHGOWNNJL-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.33
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine?
The IUPAC name of 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine (CID 62390199) is 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine.
What is the SMILES notation for 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine?
The canonical SMILES for 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine is CCc1ccccc1-c1ncn(C(C)C)c1N.
What is the InChIKey of 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine?
The InChIKey is GZNXXQHGOWNNJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-11-7-5-6-8-12(11)13-14(15)17(9-16-13)10(2)3/h5-10H,4,15H2,1-3H3.
What are the key properties of 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine?
5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine has a molecular weight of 229.33 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-ethylphenyl)-3-propan-2-ylimidazol-4-amine is sourced from PubChem (CID 62390199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).