(NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide

C12H13BrClN3OS — CID 165132545

IUPAC(NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1cn2cc(Cl)cc(Br)c2n1
InChIInChI=1S/C12H13BrClN3OS/c1-12(2,3)19(18)15-5-9-7-17-6-8(14)4-10(13)11(17)16-9/h4-7H,1-3H3/b15-5+
InChIKeyFIMIHXIORZQOHR-PJQLUOCWSA-N
MW362.68 g/mol
LogP3.63
Rot. Bonds2

About (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide

(NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide (PubChem CID 165132545) has the molecular formula C12H13BrClN3OS and a molecular weight of 362.68 g/mol. Its IUPAC name is (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound Name(NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
PubChem CID165132545
Molecular FormulaC12H13BrClN3OS
Molecular Weight362.68 g/mol
Exact Mass360.97
IUPAC Name(NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide
SMILESCC(C)(C)S(=O)/N=C/c1cn2cc(Cl)cc(Br)c2n1
InChIInChI=1S/C12H13BrClN3OS/c1-12(2,3)19(18)15-5-9-7-17-6-8(14)4-10(13)11(17)16-9/h4-7H,1-3H3/b15-5+
InChIKeyFIMIHXIORZQOHR-PJQLUOCWSA-N
XLogP3.63
TPSA46.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.68
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The IUPAC name of (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide (CID 165132545) is (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The canonical SMILES for (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide is CC(C)(C)S(=O)/N=C/c1cn2cc(Cl)cc(Br)c2n1.
What is the InChIKey of (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
The InChIKey is FIMIHXIORZQOHR-PJQLUOCWSA-N. The full InChI is InChI=1S/C12H13BrClN3OS/c1-12(2,3)19(18)15-5-9-7-17-6-8(14)4-10(13)11(17)16-9/h4-7H,1-3H3/b15-5+.
What are the key properties of (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide?
(NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide has a molecular weight of 362.68 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(8-bromo-6-chloroimidazo[1,2-a]pyridin-2-yl)methylidene]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 165132545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).