4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol

C25H26N4O — CID 135786569

IUPAC4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol
SMILESCN(C)c1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H26N4O/c1-28(2)20-11-5-17(6-12-20)23-24(18-7-13-21(14-8-18)29(3)4)27-25(26-23)19-9-15-22(30)16-10-19/h5-16,30H,1-4H3,(H,26,27)
InChIKeyQTIGCKVHRYBEKI-UHFFFAOYSA-N
MW398.51 g/mol
LogP5.25
Rot. Bonds5

About 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol

4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol (PubChem CID 135786569) has the molecular formula C25H26N4O and a molecular weight of 398.51 g/mol. Its IUPAC name is 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol.

Molecular Properties

Compound Name4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol
PubChem CID135786569
Molecular FormulaC25H26N4O
Molecular Weight398.51 g/mol
Exact Mass398.21
IUPAC Name4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol
SMILESCN(C)c1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1
InChIInChI=1S/C25H26N4O/c1-28(2)20-11-5-17(6-12-20)23-24(18-7-13-21(14-8-18)29(3)4)27-25(26-23)19-9-15-22(30)16-10-19/h5-16,30H,1-4H3,(H,26,27)
InChIKeyQTIGCKVHRYBEKI-UHFFFAOYSA-N
XLogP5.25
TPSA55.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.51
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol?
The IUPAC name of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol (CID 135786569) is 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol.
What is the SMILES notation for 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol?
The canonical SMILES for 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol is CN(C)c1ccc(-c2nc(-c3ccc(O)cc3)[nH]c2-c2ccc(N(C)C)cc2)cc1.
What is the InChIKey of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol?
The InChIKey is QTIGCKVHRYBEKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O/c1-28(2)20-11-5-17(6-12-20)23-24(18-7-13-21(14-8-18)29(3)4)27-25(26-23)19-9-15-22(30)16-10-19/h5-16,30H,1-4H3,(H,26,27).
What are the key properties of 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol?
4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol has a molecular weight of 398.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis[4-(dimethylamino)phenyl]-1H-imidazol-2-yl]phenol is sourced from PubChem (CID 135786569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).