2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide

C17H20Br2N6O — CID 172986443

IUPAC2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
SMILESBr.Cc1cc[n+]2cc(-c3ccc(/C=N/N=C(N)NO)cc3)n(C)c2c1.[Br-]
InChIInChI=1S/C17H19N6O.2BrH/c1-12-7-8-23-11-15(22(2)16(23)9-12)14-5-3-13(4-6-14)10-19-20-17(18)21-24;;/h3-11,24H,1-2H3,(H3,18,20,21);2*1H/q+1;;/p-1/b19-10+;;
InChIKeyXVKFXEBNNNNIGD-DLFBYYCRSA-M
MW484.20 g/mol
LogP-1.05
Rot. Bonds3

About 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide

2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide (PubChem CID 172986443) has the molecular formula C17H20Br2N6O and a molecular weight of 484.20 g/mol. Its IUPAC name is 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide.

Molecular Properties

Compound Name2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
PubChem CID172986443
Molecular FormulaC17H20Br2N6O
Molecular Weight484.20 g/mol
Exact Mass482.01
IUPAC Name2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide
SMILESBr.Cc1cc[n+]2cc(-c3ccc(/C=N/N=C(N)NO)cc3)n(C)c2c1.[Br-]
InChIInChI=1S/C17H19N6O.2BrH/c1-12-7-8-23-11-15(22(2)16(23)9-12)14-5-3-13(4-6-14)10-19-20-17(18)21-24;;/h3-11,24H,1-2H3,(H3,18,20,21);2*1H/q+1;;/p-1/b19-10+;;
InChIKeyXVKFXEBNNNNIGD-DLFBYYCRSA-M
XLogP-1.05
TPSA92.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.20
LogP ≤ 5-1.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide?
The IUPAC name of 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide (CID 172986443) is 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide.
What is the SMILES notation for 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide?
The canonical SMILES for 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide is Br.Cc1cc[n+]2cc(-c3ccc(/C=N/N=C(N)NO)cc3)n(C)c2c1.[Br-].
What is the InChIKey of 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide?
The InChIKey is XVKFXEBNNNNIGD-DLFBYYCRSA-M. The full InChI is InChI=1S/C17H19N6O.2BrH/c1-12-7-8-23-11-15(22(2)16(23)9-12)14-5-3-13(4-6-14)10-19-20-17(18)21-24;;/h3-11,24H,1-2H3,(H3,18,20,21);2*1H/q+1;;/p-1/b19-10+;;.
What are the key properties of 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide?
2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide has a molecular weight of 484.20 g/mol, XLogP of -1.05, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(1,7-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1-hydroxyguanidine;bromide;hydrobromide is sourced from PubChem (CID 172986443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).