5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine

C13H17N3O2 — CID 116879386

IUPAC5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
SMILESCOc1cc(-c2cnc(N)[nH]2)c(OC)c(C)c1C
InChIInChI=1S/C13H17N3O2/c1-7-8(2)12(18-4)9(5-11(7)17-3)10-6-15-13(14)16-10/h5-6H,1-4H3,(H3,14,15,16)
InChIKeyCXQMVSJVARPEPY-UHFFFAOYSA-N
MW247.30 g/mol
LogP2.29
Rot. Bonds3

About 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine

5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine (PubChem CID 116879386) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine.

Molecular Properties

Compound Name5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
PubChem CID116879386
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine
SMILESCOc1cc(-c2cnc(N)[nH]2)c(OC)c(C)c1C
InChIInChI=1S/C13H17N3O2/c1-7-8(2)12(18-4)9(5-11(7)17-3)10-6-15-13(14)16-10/h5-6H,1-4H3,(H3,14,15,16)
InChIKeyCXQMVSJVARPEPY-UHFFFAOYSA-N
XLogP2.29
TPSA73.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine?
The IUPAC name of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine (CID 116879386) is 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine.
What is the SMILES notation for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine?
The canonical SMILES for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine is COc1cc(-c2cnc(N)[nH]2)c(OC)c(C)c1C.
What is the InChIKey of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine?
The InChIKey is CXQMVSJVARPEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-7-8(2)12(18-4)9(5-11(7)17-3)10-6-15-13(14)16-10/h5-6H,1-4H3,(H3,14,15,16).
What are the key properties of 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine?
5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine has a molecular weight of 247.30 g/mol, XLogP of 2.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxy-3,4-dimethylphenyl)-1H-imidazol-2-amine is sourced from PubChem (CID 116879386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).