3-benzyl-5-ethylimidazol-4-amine

C12H15N3 — CID 58192367

IUPAC3-benzyl-5-ethylimidazol-4-amine
SMILESCCc1ncn(Cc2ccccc2)c1N
InChIInChI=1S/C12H15N3/c1-2-11-12(13)15(9-14-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8,13H2,1H3
InChIKeyYPHVRMYYIZYCHW-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.08
Rot. Bonds3

About 3-benzyl-5-ethylimidazol-4-amine

3-benzyl-5-ethylimidazol-4-amine (PubChem CID 58192367) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 3-benzyl-5-ethylimidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-5-ethylimidazol-4-amine
PubChem CID58192367
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name3-benzyl-5-ethylimidazol-4-amine
SMILESCCc1ncn(Cc2ccccc2)c1N
InChIInChI=1S/C12H15N3/c1-2-11-12(13)15(9-14-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8,13H2,1H3
InChIKeyYPHVRMYYIZYCHW-UHFFFAOYSA-N
XLogP2.08
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-ethylimidazol-4-amine?
The IUPAC name of 3-benzyl-5-ethylimidazol-4-amine (CID 58192367) is 3-benzyl-5-ethylimidazol-4-amine.
What is the SMILES notation for 3-benzyl-5-ethylimidazol-4-amine?
The canonical SMILES for 3-benzyl-5-ethylimidazol-4-amine is CCc1ncn(Cc2ccccc2)c1N.
What is the InChIKey of 3-benzyl-5-ethylimidazol-4-amine?
The InChIKey is YPHVRMYYIZYCHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-2-11-12(13)15(9-14-11)8-10-6-4-3-5-7-10/h3-7,9H,2,8,13H2,1H3.
What are the key properties of 3-benzyl-5-ethylimidazol-4-amine?
3-benzyl-5-ethylimidazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 2.08, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-ethylimidazol-4-amine is sourced from PubChem (CID 58192367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).