1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide

C18H21BrN2O2S — CID 18553189

IUPAC1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
SMILESCOc1ccccc1N1CC(O)(c2cccs2)[N+]2=C1CCCC2.[Br-]
InChIInChI=1S/C18H21N2O2S.BrH/c1-22-15-8-3-2-7-14(15)19-13-18(21,16-9-6-12-23-16)20-11-5-4-10-17(19)20;/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3;1H/q+1;/p-1
InChIKeyDSUVOPONGHYAQL-UHFFFAOYSA-M
MW409.35 g/mol
LogP0.02
Rot. Bonds3

About 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide

1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide (PubChem CID 18553189) has the molecular formula C18H21BrN2O2S and a molecular weight of 409.35 g/mol. Its IUPAC name is 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide.

Molecular Properties

Compound Name1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
PubChem CID18553189
Molecular FormulaC18H21BrN2O2S
Molecular Weight409.35 g/mol
Exact Mass408.05
IUPAC Name1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide
SMILESCOc1ccccc1N1CC(O)(c2cccs2)[N+]2=C1CCCC2.[Br-]
InChIInChI=1S/C18H21N2O2S.BrH/c1-22-15-8-3-2-7-14(15)19-13-18(21,16-9-6-12-23-16)20-11-5-4-10-17(19)20;/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3;1H/q+1;/p-1
InChIKeyDSUVOPONGHYAQL-UHFFFAOYSA-M
XLogP0.02
TPSA35.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.35
LogP ≤ 50.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The IUPAC name of 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide (CID 18553189) is 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide.
What is the SMILES notation for 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The canonical SMILES for 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide is COc1ccccc1N1CC(O)(c2cccs2)[N+]2=C1CCCC2.[Br-].
What is the InChIKey of 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
The InChIKey is DSUVOPONGHYAQL-UHFFFAOYSA-M. The full InChI is InChI=1S/C18H21N2O2S.BrH/c1-22-15-8-3-2-7-14(15)19-13-18(21,16-9-6-12-23-16)20-11-5-4-10-17(19)20;/h2-3,6-9,12,21H,4-5,10-11,13H2,1H3;1H/q+1;/p-1.
What are the key properties of 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide?
1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide has a molecular weight of 409.35 g/mol, XLogP of 0.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxyphenyl)-3-thiophen-2-yl-5,6,7,8-tetrahydro-2H-imidazo[1,2-a]pyridin-4-ium-3-ol bromide is sourced from PubChem (CID 18553189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).