1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

C24H24N4O — CID 14988702

IUPAC1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESCN(C)c1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C24H24N4O/c1-27(2)23-9-7-22(8-10-23)24(29,17-28-16-15-26-18-28)21-5-3-19(4-6-21)20-11-13-25-14-12-20/h3-16,18,29H,17H2,1-2H3
InChIKeyFGEVHLQAUMOPOZ-UHFFFAOYSA-N
MW384.48 g/mol
LogP3.95
Rot. Bonds6

About 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol

1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (PubChem CID 14988702) has the molecular formula C24H24N4O and a molecular weight of 384.48 g/mol. Its IUPAC name is 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.

Molecular Properties

Compound Name1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
PubChem CID14988702
Molecular FormulaC24H24N4O
Molecular Weight384.48 g/mol
Exact Mass384.20
IUPAC Name1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol
SMILESCN(C)c1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1
InChIInChI=1S/C24H24N4O/c1-27(2)23-9-7-22(8-10-23)24(29,17-28-16-15-26-18-28)21-5-3-19(4-6-21)20-11-13-25-14-12-20/h3-16,18,29H,17H2,1-2H3
InChIKeyFGEVHLQAUMOPOZ-UHFFFAOYSA-N
XLogP3.95
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.48
LogP ≤ 53.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The IUPAC name of 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol (CID 14988702) is 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol.
What is the SMILES notation for 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The canonical SMILES for 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is CN(C)c1ccc(C(O)(Cn2ccnc2)c2ccc(-c3ccncc3)cc2)cc1.
What is the InChIKey of 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
The InChIKey is FGEVHLQAUMOPOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O/c1-27(2)23-9-7-22(8-10-23)24(29,17-28-16-15-26-18-28)21-5-3-19(4-6-21)20-11-13-25-14-12-20/h3-16,18,29H,17H2,1-2H3.
What are the key properties of 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol?
1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol has a molecular weight of 384.48 g/mol, XLogP of 3.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(dimethylamino)phenyl]-2-imidazol-1-yl-1-(4-pyridin-4-ylphenyl)ethanol is sourced from PubChem (CID 14988702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).