1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine

C13H17N3 — CID 106558212

IUPAC1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(C)ccc1C
InChIInChI=1S/C13H17N3/c1-9-5-6-10(2)12(7-9)16-8-11(3)15-13(16)14-4/h5-8H,1-4H3,(H,14,15)
InChIKeyCQTNWAUOYYNVPU-UHFFFAOYSA-N
MW215.30 g/mol
LogP2.84
Rot. Bonds2

About 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine

1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine (PubChem CID 106558212) has the molecular formula C13H17N3 and a molecular weight of 215.30 g/mol. Its IUPAC name is 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine.

Molecular Properties

Compound Name1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
PubChem CID106558212
Molecular FormulaC13H17N3
Molecular Weight215.30 g/mol
Exact Mass215.14
IUPAC Name1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine
SMILESCNc1nc(C)cn1-c1cc(C)ccc1C
InChIInChI=1S/C13H17N3/c1-9-5-6-10(2)12(7-9)16-8-11(3)15-13(16)14-4/h5-8H,1-4H3,(H,14,15)
InChIKeyCQTNWAUOYYNVPU-UHFFFAOYSA-N
XLogP2.84
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.30
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-methoxy-5-methylphenyl)-N,4-dimethylimidazol-2-amine
CID 106557791
1-(2,5-dimethylphenyl)-4-methyl-N-propylimidazol-2-amine
CID 106558223
1-(2,5-dimethylphenyl)-N-methylimidazol-2-amine
CID 106558210
1-(2-bromo-4-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106560683
N-butyl-1-(2-chloro-5-methylphenyl)-4-methylimidazol-2-amine
CID 107628198
1-[2-chloro-5-(trifluoromethyl)phenyl]-N,4-dimethylimidazol-2-amine
CID 106557943
1-(4-chlorophenyl)-N,4-dimethylimidazol-2-amine
CID 106558479
1-(2-bromo-4-methylphenyl)-N-butyl-4-methylimidazol-2-amine
CID 106555636
1-(2-bromo-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106555622
N-cyclohexyl-1-(5-fluoro-2-methylphenyl)-4-methylimidazol-2-amine
CID 106559285
1-(2-chloro-4-methylphenyl)-4-methyl-N-phenylimidazol-2-amine
CID 106560864
1-(4-chloro-3-fluorophenyl)-N,4-dimethylimidazol-2-amine
CID 106567668

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine?
The IUPAC name of 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine (CID 106558212) is 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine.
What is the SMILES notation for 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine?
The canonical SMILES for 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine is CNc1nc(C)cn1-c1cc(C)ccc1C.
What is the InChIKey of 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine?
The InChIKey is CQTNWAUOYYNVPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3/c1-9-5-6-10(2)12(7-9)16-8-11(3)15-13(16)14-4/h5-8H,1-4H3,(H,14,15).
What are the key properties of 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine?
1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine has a molecular weight of 215.30 g/mol, XLogP of 2.84, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dimethylphenyl)-N,4-dimethylimidazol-2-amine is sourced from PubChem (CID 106558212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).