2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine

C16H15IN2OS — CID 163408935

IUPAC2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(SCc2c(I)nc3ccc(C)cn23)cc1
InChIInChI=1S/C16H15IN2OS/c1-11-3-8-15-18-16(17)14(19(15)9-11)10-21-13-6-4-12(20-2)5-7-13/h3-9H,10H2,1-2H3
InChIKeyMWKUTIJAGYATFN-UHFFFAOYSA-N
MW410.28 g/mol
LogP4.55
Rot. Bonds4

About 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine

2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine (PubChem CID 163408935) has the molecular formula C16H15IN2OS and a molecular weight of 410.28 g/mol. Its IUPAC name is 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
PubChem CID163408935
Molecular FormulaC16H15IN2OS
Molecular Weight410.28 g/mol
Exact Mass409.99
IUPAC Name2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine
SMILESCOc1ccc(SCc2c(I)nc3ccc(C)cn23)cc1
InChIInChI=1S/C16H15IN2OS/c1-11-3-8-15-18-16(17)14(19(15)9-11)10-21-13-6-4-12(20-2)5-7-13/h3-9H,10H2,1-2H3
InChIKeyMWKUTIJAGYATFN-UHFFFAOYSA-N
XLogP4.55
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.28
LogP ≤ 54.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125896
3-(chloromethyl)-2,6-dimethylimidazo[1,2-a]pyridine;hydrochloride
CID 82530392
ethyl 2-[2-(4-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetate
CID 58763578
3-[(4-methoxy-2-methylphenyl)methyl]-6-methyl-2-phenylimidazo[1,2-a]pyridine
CID 51359385
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]acetonitrile
CID 39133975
2-[(4-aminophenyl)sulfanylmethyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43298988
2-[2-(2,5-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]ethanethioamide
CID 39127888
[2-(2-methoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanol
CID 39125918
2-[(4-methoxyphenyl)methyl]-6-methylimidazo[1,2-a]pyridine-3-carbonitrile
CID 82223229
[2-(4-ethoxyphenyl)-6-methylimidazo[1,2-a]pyridin-3-yl]methanamine
CID 39199338
N-(4-methoxyphenyl)-2-(7-methyl-4-oxopyrido[1,2-a][1,3,5]triazin-2-yl)sulfanylacetamide
CID 7256725
3-(chloromethyl)-6-methyl-2-pyridin-4-ylimidazo[1,2-a]pyridine
CID 39133014

Frequently Asked Questions

What is the IUPAC name of 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
The IUPAC name of 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine (CID 163408935) is 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine.
What is the SMILES notation for 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
The canonical SMILES for 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine is COc1ccc(SCc2c(I)nc3ccc(C)cn23)cc1.
What is the InChIKey of 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
The InChIKey is MWKUTIJAGYATFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15IN2OS/c1-11-3-8-15-18-16(17)14(19(15)9-11)10-21-13-6-4-12(20-2)5-7-13/h3-9H,10H2,1-2H3.
What are the key properties of 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine?
2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine has a molecular weight of 410.28 g/mol, XLogP of 4.55, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-iodo-3-[(4-methoxyphenyl)sulfanylmethyl]-6-methylimidazo[1,2-a]pyridine is sourced from PubChem (CID 163408935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).