(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one

C18H16N2O — CID 171652295

IUPAC(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc2nc(C)c(C(=O)/C=C/c3ccccc3)n2c1
InChIInChI=1S/C18H16N2O/c1-13-8-11-17-19-14(2)18(20(17)12-13)16(21)10-9-15-6-4-3-5-7-15/h3-12H,1-2H3/b10-9+
InChIKeyQCLQMBQCEOKOKY-MDZDMXLPSA-N
MW276.34 g/mol
LogP3.85
Rot. Bonds3

About (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one

(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one (PubChem CID 171652295) has the molecular formula C18H16N2O and a molecular weight of 276.34 g/mol. Its IUPAC name is (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one
PubChem CID171652295
Molecular FormulaC18H16N2O
Molecular Weight276.34 g/mol
Exact Mass276.13
IUPAC Name(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one
SMILESCc1ccc2nc(C)c(C(=O)/C=C/c3ccccc3)n2c1
InChIInChI=1S/C18H16N2O/c1-13-8-11-17-19-14(2)18(20(17)12-13)16(21)10-9-15-6-4-3-5-7-15/h3-12H,1-2H3/b10-9+
InChIKeyQCLQMBQCEOKOKY-MDZDMXLPSA-N
XLogP3.85
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-amino-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 83832171
4-[[(2,6-dimethylimidazo[1,2-a]pyridine-3-carbonyl)hydrazinylidene]methyl]benzoic acid
CID 75137265
(Z)-3-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)-1,3-diphenylprop-2-en-1-one
CID 15321695
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
(1E,4E)-1-(4-methylphenyl)-5-phenylpenta-1,4-dien-3-one
CID 6175900
(Z)-1-(2,4-dimethylphenyl)-3-phenylprop-2-en-1-one
CID 92908631
(E)-1-(1-benzoselenophen-2-yl)-3-phenylprop-2-en-1-one
CID 44631350
2-[(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)diazenyl]benzoic acid
CID 82355541
1,3-diphenylprop-2-en-1-one;ethane
CID 91274718
6-benzylidene-12-methyl-1,8-diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraen-2-one
CID 54070128
N-(2,2-dimethoxyethyl)-N,2,6-trimethylimidazo[1,2-a]pyridine-3-carboxamide
CID 126472992
(E)-3-phenyl-1-[4-[(E)-3-phenylprop-2-enoyl]phenyl]prop-2-en-1-one
CID 5369391

Frequently Asked Questions

What is the IUPAC name of (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one?
The IUPAC name of (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one (CID 171652295) is (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one.
What is the SMILES notation for (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one?
The canonical SMILES for (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one is Cc1ccc2nc(C)c(C(=O)/C=C/c3ccccc3)n2c1.
What is the InChIKey of (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one?
The InChIKey is QCLQMBQCEOKOKY-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16N2O/c1-13-8-11-17-19-14(2)18(20(17)12-13)16(21)10-9-15-6-4-3-5-7-15/h3-12H,1-2H3/b10-9+.
What are the key properties of (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one?
(E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one has a molecular weight of 276.34 g/mol, XLogP of 3.85, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(2,6-dimethylimidazo[1,2-a]pyridin-3-yl)-3-phenylprop-2-en-1-one is sourced from PubChem (CID 171652295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).