2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine

C17H18N2O2S — CID 99859153

IUPAC2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(CC[S@@](=O)Cc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-16-7-5-14(6-8-16)9-11-22(20)13-15-12-19-10-3-2-4-17(19)18-15/h2-8,10,12H,9,11,13H2,1H3/t22-/m1/s1
InChIKeyGCYCWMWYDXXHAF-JOCHJYFZSA-N
MW314.41 g/mol
LogP2.83
Rot. Bonds6

About 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine

2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine (PubChem CID 99859153) has the molecular formula C17H18N2O2S and a molecular weight of 314.41 g/mol. Its IUPAC name is 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine
PubChem CID99859153
Molecular FormulaC17H18N2O2S
Molecular Weight314.41 g/mol
Exact Mass314.11
IUPAC Name2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(CC[S@@](=O)Cc2cn3ccccc3n2)cc1
InChIInChI=1S/C17H18N2O2S/c1-21-16-7-5-14(6-8-16)9-11-22(20)13-15-12-19-10-3-2-4-17(19)18-15/h2-8,10,12H,9,11,13H2,1H3/t22-/m1/s1
InChIKeyGCYCWMWYDXXHAF-JOCHJYFZSA-N
XLogP2.83
TPSA43.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.41
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(imidazo[1,2-a]pyridin-2-ylmethylsulfinyl)propan-2-amine
CID 81188495
3-(imidazo[1,2-a]pyridin-2-ylmethyl)-5-[2-(4-methoxyphenyl)ethyl]-5-methylimidazolidine-2,4-dione
CID 17392520
2-[[(R)-[3-(difluoromethoxy)phenyl]methylsulfinyl]methyl]imidazo[1,2-a]pyridine
CID 97000324
(1R)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-1-(4-methoxyphenyl)ethanamine
CID 97088460
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3,5-dimethoxybenzamide
CID 41463533
ethane;imidazo[1,2-a]pyridin-2-ylmethanol
CID 91126513
2-(imidazo[1,2-a]pyridin-2-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110929224
3-imidazo[1,2-a]pyridin-2-yl-1-[(2R)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889414
3-imidazo[1,2-a]pyridin-2-yl-1-[(2S)-4-(4-methoxyphenyl)-2-methylpiperazin-1-yl]propan-1-one
CID 95889415
1-[4-(imidazo[1,2-a]pyridin-2-ylmethoxy)phenyl]propan-2-ol
CID 115495863
5-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]-2-methyl-1,3-thiazole
CID 99831712
2-imidazo[1,2-a]pyridin-2-ylethanamine
CID 7536516

Frequently Asked Questions

What is the IUPAC name of 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine (CID 99859153) is 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine is COc1ccc(CC[S@@](=O)Cc2cn3ccccc3n2)cc1.
What is the InChIKey of 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine?
The InChIKey is GCYCWMWYDXXHAF-JOCHJYFZSA-N. The full InChI is InChI=1S/C17H18N2O2S/c1-21-16-7-5-14(6-8-16)9-11-22(20)13-15-12-19-10-3-2-4-17(19)18-15/h2-8,10,12H,9,11,13H2,1H3/t22-/m1/s1.
What are the key properties of 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine?
2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine has a molecular weight of 314.41 g/mol, XLogP of 2.83, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(R)-2-(4-methoxyphenyl)ethylsulfinyl]methyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 99859153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).