5-benzyl-2,3-dimethylimidazol-4-amine

C12H15N3 — CID 62225752

IUPAC5-benzyl-2,3-dimethylimidazol-4-amine
SMILESCc1nc(Cc2ccccc2)c(N)n1C
InChIInChI=1S/C12H15N3/c1-9-14-11(12(13)15(9)2)8-10-6-4-3-5-7-10/h3-7H,8,13H2,1-2H3
InChIKeyYKYJOFUUVHMFNO-UHFFFAOYSA-N
MW201.27 g/mol
LogP1.90
Rot. Bonds2

About 5-benzyl-2,3-dimethylimidazol-4-amine

5-benzyl-2,3-dimethylimidazol-4-amine (PubChem CID 62225752) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 5-benzyl-2,3-dimethylimidazol-4-amine.

Molecular Properties

Compound Name5-benzyl-2,3-dimethylimidazol-4-amine
PubChem CID62225752
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name5-benzyl-2,3-dimethylimidazol-4-amine
SMILESCc1nc(Cc2ccccc2)c(N)n1C
InChIInChI=1S/C12H15N3/c1-9-14-11(12(13)15(9)2)8-10-6-4-3-5-7-10/h3-7H,8,13H2,1-2H3
InChIKeyYKYJOFUUVHMFNO-UHFFFAOYSA-N
XLogP1.90
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-benzyl-2,3-dimethylimidazol-4-amine?
The IUPAC name of 5-benzyl-2,3-dimethylimidazol-4-amine (CID 62225752) is 5-benzyl-2,3-dimethylimidazol-4-amine.
What is the SMILES notation for 5-benzyl-2,3-dimethylimidazol-4-amine?
The canonical SMILES for 5-benzyl-2,3-dimethylimidazol-4-amine is Cc1nc(Cc2ccccc2)c(N)n1C.
What is the InChIKey of 5-benzyl-2,3-dimethylimidazol-4-amine?
The InChIKey is YKYJOFUUVHMFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-9-14-11(12(13)15(9)2)8-10-6-4-3-5-7-10/h3-7H,8,13H2,1-2H3.
What are the key properties of 5-benzyl-2,3-dimethylimidazol-4-amine?
5-benzyl-2,3-dimethylimidazol-4-amine has a molecular weight of 201.27 g/mol, XLogP of 1.90, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-2,3-dimethylimidazol-4-amine is sourced from PubChem (CID 62225752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).