(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one

C23H17BrN2O2 — CID 118712277

IUPAC(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3ccccn23)c(O)c1
InChIInChI=1S/C23H17BrN2O2/c1-15-5-10-18(21(28)14-15)20(27)12-11-19-23(16-6-8-17(24)9-7-16)25-22-4-2-3-13-26(19)22/h2-14,28H,1H3/b12-11+
InChIKeyVTZPVWOLFRJCFG-VAWYXSNFSA-N
MW433.31 g/mol
LogP5.67
Rot. Bonds4

About (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one

(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one (PubChem CID 118712277) has the molecular formula C23H17BrN2O2 and a molecular weight of 433.31 g/mol. Its IUPAC name is (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
PubChem CID118712277
Molecular FormulaC23H17BrN2O2
Molecular Weight433.31 g/mol
Exact Mass432.05
IUPAC Name(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one
SMILESCc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3ccccn23)c(O)c1
InChIInChI=1S/C23H17BrN2O2/c1-15-5-10-18(21(28)14-15)20(27)12-11-19-23(16-6-8-17(24)9-7-16)25-22-4-2-3-13-26(19)22/h2-14,28H,1H3/b12-11+
InChIKeyVTZPVWOLFRJCFG-VAWYXSNFSA-N
XLogP5.67
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.31
LogP ≤ 55.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
The IUPAC name of (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one (CID 118712277) is (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one.
What is the SMILES notation for (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
The canonical SMILES for (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one is Cc1ccc(C(=O)/C=C/c2c(-c3ccc(Br)cc3)nc3ccccn23)c(O)c1.
What is the InChIKey of (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
The InChIKey is VTZPVWOLFRJCFG-VAWYXSNFSA-N. The full InChI is InChI=1S/C23H17BrN2O2/c1-15-5-10-18(21(28)14-15)20(27)12-11-19-23(16-6-8-17(24)9-7-16)25-22-4-2-3-13-26(19)22/h2-14,28H,1H3/b12-11+.
What are the key properties of (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one?
(E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one has a molecular weight of 433.31 g/mol, XLogP of 5.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]-1-(2-hydroxy-4-methylphenyl)prop-2-en-1-one is sourced from PubChem (CID 118712277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).