5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine

C13H19N3 — CID 79510395

IUPAC5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)Cc1ccccc1
InChIInChI=1S/C13H19N3/c1-3-16-12(14)15-10-13(16,2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H2,14,15)
InChIKeyOJAOAGWIWKHVJC-UHFFFAOYSA-N
MW217.32 g/mol
LogP1.64
Rot. Bonds3

About 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine

5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine (PubChem CID 79510395) has the molecular formula C13H19N3 and a molecular weight of 217.32 g/mol. Its IUPAC name is 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine
PubChem CID79510395
Molecular FormulaC13H19N3
Molecular Weight217.32 g/mol
Exact Mass217.16
IUPAC Name5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine
SMILESCCN1C(N)=NCC1(C)Cc1ccccc1
InChIInChI=1S/C13H19N3/c1-3-16-12(14)15-10-13(16,2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H2,14,15)
InChIKeyOJAOAGWIWKHVJC-UHFFFAOYSA-N
XLogP1.64
TPSA41.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine?
The IUPAC name of 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine (CID 79510395) is 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine?
The canonical SMILES for 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine is CCN1C(N)=NCC1(C)Cc1ccccc1.
What is the InChIKey of 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine?
The InChIKey is OJAOAGWIWKHVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3/c1-3-16-12(14)15-10-13(16,2)9-11-7-5-4-6-8-11/h4-8H,3,9-10H2,1-2H3,(H2,14,15).
What are the key properties of 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine?
5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine has a molecular weight of 217.32 g/mol, XLogP of 1.64, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-1-ethyl-5-methyl-4H-imidazol-2-amine is sourced from PubChem (CID 79510395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).