2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide

C19H24Br2N6 — CID 172923247

IUPAC2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide
SMILESBr.Cc1ccc2n(C)c(-c3ccc(/C=N/N=C(N)N(C)C)cc3)c[n+]2c1.[Br-]
InChIInChI=1S/C19H23N6.2BrH/c1-14-5-10-18-24(4)17(13-25(18)12-14)16-8-6-15(7-9-16)11-21-22-19(20)23(2)3;;/h5-13H,1-4H3,(H2,20,22);2*1H/q+1;;/p-1/b21-11+;;
InChIKeyCCLFEYGVSBMWBB-JVCHBHOBSA-M
MW496.25 g/mol
LogP-0.47
Rot. Bonds3

About 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide

2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide (PubChem CID 172923247) has the molecular formula C19H24Br2N6 and a molecular weight of 496.25 g/mol. Its IUPAC name is 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide.

Molecular Properties

Compound Name2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide
PubChem CID172923247
Molecular FormulaC19H24Br2N6
Molecular Weight496.25 g/mol
Exact Mass494.04
IUPAC Name2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide
SMILESBr.Cc1ccc2n(C)c(-c3ccc(/C=N/N=C(N)N(C)C)cc3)c[n+]2c1.[Br-]
InChIInChI=1S/C19H23N6.2BrH/c1-14-5-10-18-24(4)17(13-25(18)12-14)16-8-6-15(7-9-16)11-21-22-19(20)23(2)3;;/h5-13H,1-4H3,(H2,20,22);2*1H/q+1;;/p-1/b21-11+;;
InChIKeyCCLFEYGVSBMWBB-JVCHBHOBSA-M
XLogP-0.47
TPSA63.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.25
LogP ≤ 5-0.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide?
The IUPAC name of 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide (CID 172923247) is 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide.
What is the SMILES notation for 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide?
The canonical SMILES for 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide is Br.Cc1ccc2n(C)c(-c3ccc(/C=N/N=C(N)N(C)C)cc3)c[n+]2c1.[Br-].
What is the InChIKey of 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide?
The InChIKey is CCLFEYGVSBMWBB-JVCHBHOBSA-M. The full InChI is InChI=1S/C19H23N6.2BrH/c1-14-5-10-18-24(4)17(13-25(18)12-14)16-8-6-15(7-9-16)11-21-22-19(20)23(2)3;;/h5-13H,1-4H3,(H2,20,22);2*1H/q+1;;/p-1/b21-11+;;.
What are the key properties of 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide?
2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide has a molecular weight of 496.25 g/mol, XLogP of -0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[4-(1,6-dimethylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]-1,1-dimethylguanidine;bromide;hydrobromide is sourced from PubChem (CID 172923247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).