(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide

C30H26BrN6+ — CID 54611300

IUPAC(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide
SMILESCn1c(-c2ccc(/C=N/N=C/c3ccc(-c4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.[Br-]
InChIInChI=1S/C30H26N6.BrH/c1-33-27(21-35-17-5-3-7-29(33)35)25-13-9-23(10-14-25)19-31-32-20-24-11-15-26(16-12-24)28-22-36-18-6-4-8-30(36)34(28)2;/h3-22H,1-2H3;1H/q+2;/p-1/b31-19+,32-20+;
InChIKeyIBQBBVTYWBMCCX-IZXMOPRRSA-M
MW550.48 g/mol
LogP1.63
Rot. Bonds5

About (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide

(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide (PubChem CID 54611300) has the molecular formula C30H26BrN6+ and a molecular weight of 550.48 g/mol. Its IUPAC name is (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide.

Molecular Properties

Compound Name(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide
PubChem CID54611300
Molecular FormulaC30H26BrN6+
Molecular Weight550.48 g/mol
Exact Mass549.14
IUPAC Name(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide
SMILESCn1c(-c2ccc(/C=N/N=C/c3ccc(-c4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.[Br-]
InChIInChI=1S/C30H26N6.BrH/c1-33-27(21-35-17-5-3-7-29(33)35)25-13-9-23(10-14-25)19-31-32-20-24-11-15-26(16-12-24)28-22-36-18-6-4-8-30(36)34(28)2;/h3-22H,1-2H3;1H/q+2;/p-1/b31-19+,32-20+;
InChIKeyIBQBBVTYWBMCCX-IZXMOPRRSA-M
XLogP1.63
TPSA42.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500550.48
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', '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 (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide?
The IUPAC name of (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide (CID 54611300) is (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide.
What is the SMILES notation for (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide?
The canonical SMILES for (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide is Cn1c(-c2ccc(/C=N/N=C/c3ccc(-c4c[n+]5ccccc5n4C)cc3)cc2)c[n+]2ccccc12.[Br-].
What is the InChIKey of (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide?
The InChIKey is IBQBBVTYWBMCCX-IZXMOPRRSA-M. The full InChI is InChI=1S/C30H26N6.BrH/c1-33-27(21-35-17-5-3-7-29(33)35)25-13-9-23(10-14-25)19-31-32-20-24-11-15-26(16-12-24)28-22-36-18-6-4-8-30(36)34(28)2;/h3-22H,1-2H3;1H/q+2;/p-1/b31-19+,32-20+;.
What are the key properties of (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide?
(E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide has a molecular weight of 550.48 g/mol, XLogP of 1.63, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]-N-[(E)-[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]methylideneamino]methanimine bromide is sourced from PubChem (CID 54611300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).