(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

C18H16N2O2 — CID 39195853

IUPAC(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCc1ccc(-c2nc3cccc(C)n3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C18H16N2O2/c1-12-6-8-14(9-7-12)18-15(10-11-17(21)22)20-13(2)4-3-5-16(20)19-18/h3-11H,1-2H3,(H,21,22)/b11-10+
InChIKeyNQSUERUBQHGZGF-ZHACJKMWSA-N
MW292.34 g/mol
LogP3.72
Rot. Bonds3

About (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid

(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (PubChem CID 39195853) has the molecular formula C18H16N2O2 and a molecular weight of 292.34 g/mol. Its IUPAC name is (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.

Molecular Properties

Compound Name(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
PubChem CID39195853
Molecular FormulaC18H16N2O2
Molecular Weight292.34 g/mol
Exact Mass292.12
IUPAC Name(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid
SMILESCc1ccc(-c2nc3cccc(C)n3c2/C=C/C(=O)O)cc1
InChIInChI=1S/C18H16N2O2/c1-12-6-8-14(9-7-12)18-15(10-11-17(21)22)20-13(2)4-3-5-16(20)19-18/h3-11H,1-2H3,(H,21,22)/b11-10+
InChIKeyNQSUERUBQHGZGF-ZHACJKMWSA-N
XLogP3.72
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The IUPAC name of (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid (CID 39195853) is (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid.
What is the SMILES notation for (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The canonical SMILES for (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is Cc1ccc(-c2nc3cccc(C)n3c2/C=C/C(=O)O)cc1.
What is the InChIKey of (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
The InChIKey is NQSUERUBQHGZGF-ZHACJKMWSA-N. The full InChI is InChI=1S/C18H16N2O2/c1-12-6-8-14(9-7-12)18-15(10-11-17(21)22)20-13(2)4-3-5-16(20)19-18/h3-11H,1-2H3,(H,21,22)/b11-10+.
What are the key properties of (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid?
(E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid has a molecular weight of 292.34 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[5-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoic acid is sourced from PubChem (CID 39195853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).