1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite

C17H16IN3OS — CID 118944790

IUPAC1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite
SMILESCC(SI)c1nc2ccccn2c1C(=O)NCc1ccccc1
InChIInChI=1S/C17H16IN3OS/c1-12(23-18)15-16(21-10-6-5-9-14(21)20-15)17(22)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyRXTYGROHMSFLPT-UHFFFAOYSA-N
MW437.31 g/mol
LogP4.41
Rot. Bonds5

About 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite

1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite (PubChem CID 118944790) has the molecular formula C17H16IN3OS and a molecular weight of 437.31 g/mol. Its IUPAC name is 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite.

Molecular Properties

Compound Name1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite
PubChem CID118944790
Molecular FormulaC17H16IN3OS
Molecular Weight437.31 g/mol
Exact Mass437.01
IUPAC Name1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite
SMILESCC(SI)c1nc2ccccn2c1C(=O)NCc1ccccc1
InChIInChI=1S/C17H16IN3OS/c1-12(23-18)15-16(21-10-6-5-9-14(21)20-15)17(22)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22)
InChIKeyRXTYGROHMSFLPT-UHFFFAOYSA-N
XLogP4.41
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-N-[[4-(4-phenylpiperazin-1-yl)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 121442149
N-ethyl-2-methylimidazo[1,2-a]pyridine-3-carboxamide
CID 789702
2-methyl-N-[[4-(trifluoromethoxy)phenyl]methyl]imidazo[1,2-a]pyridine-3-carboxamide
CID 134817161
N-[(4-phenoxyphenyl)methyl]-2-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carboxamide
CID 70693464
2-[(4-methylphenyl)methylamino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357955
1-benzyl-3-[1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]urea
CID 47012876
4-N,10-N-dibenzyl-2,8-dioxo-1,5,7,11-tetrazatricyclo[7.3.0.03,7]dodeca-3,5,9,11-tetraene-4,10-dicarboxamide
CID 13167972
2-propan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61358940
1-N-benzyl-3-N-(1-phenylethyl)imidazo[1,5-a]pyridine-1,3-dicarboxamide
CID 109070223
2-[[1-oxo-1-(propylamino)propan-2-yl]amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 61478101
2-butan-2-ylsulfanylimidazo[1,2-a]pyridine-3-carboxylic acid
CID 61357572
N-benzyl-7-ethyl-6-imino-2-oxo-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1077473

Frequently Asked Questions

What is the IUPAC name of 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite?
The IUPAC name of 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite (CID 118944790) is 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite.
What is the SMILES notation for 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite?
The canonical SMILES for 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite is CC(SI)c1nc2ccccn2c1C(=O)NCc1ccccc1.
What is the InChIKey of 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite?
The InChIKey is RXTYGROHMSFLPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16IN3OS/c1-12(23-18)15-16(21-10-6-5-9-14(21)20-15)17(22)19-11-13-7-3-2-4-8-13/h2-10,12H,11H2,1H3,(H,19,22).
What are the key properties of 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite?
1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite has a molecular weight of 437.31 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(benzylcarbamoyl)imidazo[1,2-a]pyridin-2-yl]ethyl thiohypoiodite is sourced from PubChem (CID 118944790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).