3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine

C14H19N3 — CID 62016973

IUPAC3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
SMILESCCn1cnc(-c2ccc(C(C)C)cc2)c1N
InChIInChI=1S/C14H19N3/c1-4-17-9-16-13(14(17)15)12-7-5-11(6-8-12)10(2)3/h5-10H,4,15H2,1-3H3
InChIKeyXETLPMINHSKZLM-UHFFFAOYSA-N
MW229.33 g/mol
LogP3.28
Rot. Bonds3

About 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine

3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine (PubChem CID 62016973) has the molecular formula C14H19N3 and a molecular weight of 229.33 g/mol. Its IUPAC name is 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine.

Molecular Properties

Compound Name3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
PubChem CID62016973
Molecular FormulaC14H19N3
Molecular Weight229.33 g/mol
Exact Mass229.16
IUPAC Name3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine
SMILESCCn1cnc(-c2ccc(C(C)C)cc2)c1N
InChIInChI=1S/C14H19N3/c1-4-17-9-16-13(14(17)15)12-7-5-11(6-8-12)10(2)3/h5-10H,4,15H2,1-3H3
InChIKeyXETLPMINHSKZLM-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 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
The IUPAC name of 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine (CID 62016973) is 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine.
What is the SMILES notation for 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
The canonical SMILES for 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine is CCn1cnc(-c2ccc(C(C)C)cc2)c1N.
What is the InChIKey of 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
The InChIKey is XETLPMINHSKZLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3/c1-4-17-9-16-13(14(17)15)12-7-5-11(6-8-12)10(2)3/h5-10H,4,15H2,1-3H3.
What are the key properties of 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine?
3-ethyl-5-(4-propan-2-ylphenyl)imidazol-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 3-ethyl-5-(4-propan-2-ylphenyl)imidazol-4-amine is sourced from PubChem (CID 62016973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).