5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine

C13H20N4 — CID 79510351

IUPAC5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine
SMILESCN(C)c1ccc(C2(C)CN=C(N)N2C)cc1
InChIInChI=1S/C13H20N4/c1-13(9-15-12(14)17(13)4)10-5-7-11(8-6-10)16(2)3/h5-8H,9H2,1-4H3,(H2,14,15)
InChIKeyGCQAFWKDHCWJSE-UHFFFAOYSA-N
MW232.33 g/mol
LogP1.23
Rot. Bonds2

About 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine

5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine (PubChem CID 79510351) has the molecular formula C13H20N4 and a molecular weight of 232.33 g/mol. Its IUPAC name is 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine.

Molecular Properties

Compound Name5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine
PubChem CID79510351
Molecular FormulaC13H20N4
Molecular Weight232.33 g/mol
Exact Mass232.17
IUPAC Name5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine
SMILESCN(C)c1ccc(C2(C)CN=C(N)N2C)cc1
InChIInChI=1S/C13H20N4/c1-13(9-15-12(14)17(13)4)10-5-7-11(8-6-10)16(2)3/h5-8H,9H2,1-4H3,(H2,14,15)
InChIKeyGCQAFWKDHCWJSE-UHFFFAOYSA-N
XLogP1.23
TPSA44.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine?
The IUPAC name of 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine (CID 79510351) is 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine.
What is the SMILES notation for 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine?
The canonical SMILES for 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine is CN(C)c1ccc(C2(C)CN=C(N)N2C)cc1.
What is the InChIKey of 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine?
The InChIKey is GCQAFWKDHCWJSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4/c1-13(9-15-12(14)17(13)4)10-5-7-11(8-6-10)16(2)3/h5-8H,9H2,1-4H3,(H2,14,15).
What are the key properties of 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine?
5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine has a molecular weight of 232.33 g/mol, XLogP of 1.23, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(dimethylamino)phenyl]-1,5-dimethyl-4H-imidazol-2-amine is sourced from PubChem (CID 79510351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).