2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid

C20H20N2O2 — CID 152755882

IUPAC2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12
InChIInChI=1S/C20H20N2O2/c1-4-5-16(20(23)24)19-18(15-9-6-13(2)7-10-15)21-17-11-8-14(3)12-22(17)19/h4,6-12,16H,1,5H2,2-3H3,(H,23,24)
InChIKeyUELDSLJMNBEVKS-UHFFFAOYSA-N
MW320.39 g/mol
LogP4.36
Rot. Bonds5

About 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid

2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid (PubChem CID 152755882) has the molecular formula C20H20N2O2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid.

Molecular Properties

Compound Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid
PubChem CID152755882
Molecular FormulaC20H20N2O2
Molecular Weight320.39 g/mol
Exact Mass320.15
IUPAC Name2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid
SMILESC=CCC(C(=O)O)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12
InChIInChI=1S/C20H20N2O2/c1-4-5-16(20(23)24)19-18(15-9-6-13(2)7-10-15)21-17-11-8-14(3)12-22(17)19/h4,6-12,16H,1,5H2,2-3H3,(H,23,24)
InChIKeyUELDSLJMNBEVKS-UHFFFAOYSA-N
XLogP4.36
TPSA54.60 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]-N-prop-2-enylpropanamide
CID 91124806
1-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]ethanol
CID 82029395
1-(6-methyl-2-phenylimidazo[1,2-a]pyridin-3-yl)propan-1-ol
CID 82029639
ethane;2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid
CID 143742261
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetic acid;hydrochloride
CID 74889750
3-(1-chloroethyl)-2-(4-chlorophenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029817
3-(1-chloroethyl)-2-(4-ethylphenyl)-6-methylimidazo[1,2-a]pyridine
CID 82029815
6-methyl-2-(4-propan-2-ylphenyl)imidazo[1,2-a]pyridine-3-carboxylic acid
CID 82056508
(E)-3-[6-methyl-2-(4-phenylphenyl)imidazo[1,2-a]pyridin-3-yl]prop-2-enoate
CID 7023742
[2-(4-bromophenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine;oxalic acid
CID 2757136
2,3-dihydroxybutanedioic acid;bis(N,N-dimethyl-2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]acetamide);hydrochloride
CID 77342331
2-[2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]butanoic acid
CID 18671711

Frequently Asked Questions

What is the IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid?
The IUPAC name of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid (CID 152755882) is 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid.
What is the SMILES notation for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid?
The canonical SMILES for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid is C=CCC(C(=O)O)c1c(-c2ccc(C)cc2)nc2ccc(C)cn12.
What is the InChIKey of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid?
The InChIKey is UELDSLJMNBEVKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O2/c1-4-5-16(20(23)24)19-18(15-9-6-13(2)7-10-15)21-17-11-8-14(3)12-22(17)19/h4,6-12,16H,1,5H2,2-3H3,(H,23,24).
What are the key properties of 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid?
2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid has a molecular weight of 320.39 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-methyl-2-(4-methylphenyl)imidazo[1,2-a]pyridin-3-yl]pent-4-enoic acid is sourced from PubChem (CID 152755882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).