N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine

C26H30N4O2 — CID 89263750

IUPACN-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
SMILESCOOCC1=CC2=NC(/C=C/c3ccc(N(C)C)cc3)C(NCc3ccccc3)N2C=C1
InChIInChI=1S/C26H30N4O2/c1-29(2)23-12-9-20(10-13-23)11-14-24-26(27-18-21-7-5-4-6-8-21)30-16-15-22(19-32-31-3)17-25(30)28-24/h4-17,24,26-27H,18-19H2,1-3H3/b14-11+
InChIKeyOKPMGOMSKUPRBF-SDNWHVSQSA-N
MW430.55 g/mol
LogP4.00
Rot. Bonds9

About N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine

N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine (PubChem CID 89263750) has the molecular formula C26H30N4O2 and a molecular weight of 430.55 g/mol. Its IUPAC name is N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
PubChem CID89263750
Molecular FormulaC26H30N4O2
Molecular Weight430.55 g/mol
Exact Mass430.24
IUPAC NameN-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine
SMILESCOOCC1=CC2=NC(/C=C/c3ccc(N(C)C)cc3)C(NCc3ccccc3)N2C=C1
InChIInChI=1S/C26H30N4O2/c1-29(2)23-12-9-20(10-13-23)11-14-24-26(27-18-21-7-5-4-6-8-21)30-16-15-22(19-32-31-3)17-25(30)28-24/h4-17,24,26-27H,18-19H2,1-3H3/b14-11+
InChIKeyOKPMGOMSKUPRBF-SDNWHVSQSA-N
XLogP4.00
TPSA49.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.55
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_B(251)', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

Analyze N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine (CID 89263750) is N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine is COOCC1=CC2=NC(/C=C/c3ccc(N(C)C)cc3)C(NCc3ccccc3)N2C=C1.
What is the InChIKey of N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
The InChIKey is OKPMGOMSKUPRBF-SDNWHVSQSA-N. The full InChI is InChI=1S/C26H30N4O2/c1-29(2)23-12-9-20(10-13-23)11-14-24-26(27-18-21-7-5-4-6-8-21)30-16-15-22(19-32-31-3)17-25(30)28-24/h4-17,24,26-27H,18-19H2,1-3H3/b14-11+.
What are the key properties of N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine?
N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine has a molecular weight of 430.55 g/mol, XLogP of 4.00, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-[(E)-2-[4-(dimethylamino)phenyl]ethenyl]-7-(methylperoxymethyl)-2,3-dihydroimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 89263750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).