3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine

C16H23N3 — CID 55048678

IUPAC3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine
SMILESCCC(CC)c1nc(C)n(Cc2ccccc2)c1N
InChIInChI=1S/C16H23N3/c1-4-14(5-2)15-16(17)19(12(3)18-15)11-13-9-7-6-8-10-13/h6-10,14H,4-5,11,17H2,1-3H3
InChIKeyUJWZPJILWKPVQI-UHFFFAOYSA-N
MW257.38 g/mol
LogP3.73
Rot. Bonds5

About 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine

3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine (PubChem CID 55048678) has the molecular formula C16H23N3 and a molecular weight of 257.38 g/mol. Its IUPAC name is 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine.

Molecular Properties

Compound Name3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine
PubChem CID55048678
Molecular FormulaC16H23N3
Molecular Weight257.38 g/mol
Exact Mass257.19
IUPAC Name3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine
SMILESCCC(CC)c1nc(C)n(Cc2ccccc2)c1N
InChIInChI=1S/C16H23N3/c1-4-14(5-2)15-16(17)19(12(3)18-15)11-13-9-7-6-8-10-13/h6-10,14H,4-5,11,17H2,1-3H3
InChIKeyUJWZPJILWKPVQI-UHFFFAOYSA-N
XLogP3.73
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine?
The IUPAC name of 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine (CID 55048678) is 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine.
What is the SMILES notation for 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine?
The canonical SMILES for 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine is CCC(CC)c1nc(C)n(Cc2ccccc2)c1N.
What is the InChIKey of 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine?
The InChIKey is UJWZPJILWKPVQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3/c1-4-14(5-2)15-16(17)19(12(3)18-15)11-13-9-7-6-8-10-13/h6-10,14H,4-5,11,17H2,1-3H3.
What are the key properties of 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine?
3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine has a molecular weight of 257.38 g/mol, XLogP of 3.73, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-2-methyl-5-pentan-3-ylimidazol-4-amine is sourced from PubChem (CID 55048678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).