1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone

C17H16N2OS — CID 1472561

IUPAC1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2c(C)nc3ccccn23)cc1
InChIInChI=1S/C17H16N2OS/c1-12-6-8-14(9-7-12)21-11-15(20)17-13(2)18-16-5-3-4-10-19(16)17/h3-10H,11H2,1-2H3
InChIKeyRMFPWYPUTRMOMU-UHFFFAOYSA-N
MW296.40 g/mol
LogP3.93
Rot. Bonds4

About 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone

1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone (PubChem CID 1472561) has the molecular formula C17H16N2OS and a molecular weight of 296.40 g/mol. Its IUPAC name is 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone.

Molecular Properties

Compound Name1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone
PubChem CID1472561
Molecular FormulaC17H16N2OS
Molecular Weight296.40 g/mol
Exact Mass296.10
IUPAC Name1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone
SMILESCc1ccc(SCC(=O)c2c(C)nc3ccccn23)cc1
InChIInChI=1S/C17H16N2OS/c1-12-6-8-14(9-7-12)21-11-15(20)17-13(2)18-16-5-3-4-10-19(16)17/h3-10H,11H2,1-2H3
InChIKeyRMFPWYPUTRMOMU-UHFFFAOYSA-N
XLogP3.93
TPSA34.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.40
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

E6Clv6G2RR
CID 16750138
3-Formyl-2-phenylimidazo(1,2-a)pyridine
CID 820933
Aminoimidazo[1,2-a]pyridine deriv. 39
CID 5330636
2-p-Tolylsulfanylmethyl-imidazo[1,2-a]pyridine
CID 914413
2-[(3-Chlorophenyl)sulfanyl]-1-(2-methylimidazo[1,2-a]pyridin-3-yl)-1-ethanone
CID 1472567
N-benzyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 881566
[6-Ethyl-5-methyl-7-(methylthio)imidazo[1,2-a]pyrimidin-2-yl]phenylmethanone
CID 10041142
2-Phenyl-6-propylsulfanyl-imidazo[1,2-a]pyridine
CID 12004643
(5-Methylsulfanyl-6,7,8,9-tetrahydroimidazo[1,2-a]quinazolin-2-yl)-phenylmethanone
CID 13301027
(5-Methyl-7-methylsulfanylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301035
(7-Methylsulfanyl-5-propylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301036
(5-Methyl-7-methylsulfanyl-6-prop-2-enylimidazo[1,2-a]pyrimidin-2-yl)-phenylmethanone
CID 13301162

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone?
The IUPAC name of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone (CID 1472561) is 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone.
What is the SMILES notation for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone?
The canonical SMILES for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone is Cc1ccc(SCC(=O)c2c(C)nc3ccccn23)cc1.
What is the InChIKey of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone?
The InChIKey is RMFPWYPUTRMOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2OS/c1-12-6-8-14(9-7-12)21-11-15(20)17-13(2)18-16-5-3-4-10-19(16)17/h3-10H,11H2,1-2H3.
What are the key properties of 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone?
1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone has a molecular weight of 296.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylimidazo[1,2-a]pyridin-3-yl)-2-(4-methylphenyl)sulfanylethanone is sourced from PubChem (CID 1472561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).