2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine

C25H25N7+2 — CID 102320907

IUPAC2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine
SMILESc1ccc(Cn2cc[n+](Cc3cccc(C[n+]4ccn(Cc5ccccn5)c4)n3)c2)nc1
InChIInChI=1S/C25H25N7/c1-3-10-26-22(6-1)16-29-12-14-31(20-29)18-24-8-5-9-25(28-24)19-32-15-13-30(21-32)17-23-7-2-4-11-27-23/h1-15,20-21H,16-19H2/q+2
InChIKeyOMTBVZAWRSIMPC-UHFFFAOYSA-N
MW423.52 g/mol
LogP2.24
Rot. Bonds8

About 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine

2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine (PubChem CID 102320907) has the molecular formula C25H25N7+2 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine.

Molecular Properties

Compound Name2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine
PubChem CID102320907
Molecular FormulaC25H25N7+2
Molecular Weight423.52 g/mol
Exact Mass423.22
IUPAC Name2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine
SMILESc1ccc(Cn2cc[n+](Cc3cccc(C[n+]4ccn(Cc5ccccn5)c4)n3)c2)nc1
InChIInChI=1S/C25H25N7/c1-3-10-26-22(6-1)16-29-12-14-31(20-29)18-24-8-5-9-25(28-24)19-32-15-13-30(21-32)17-23-7-2-4-11-27-23/h1-15,20-21H,16-19H2/q+2
InChIKeyOMTBVZAWRSIMPC-UHFFFAOYSA-N
XLogP2.24
TPSA56.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 52.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[[3-[[10-[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]anthracen-9-yl]methyl]imidazol-3-ium-1-yl]methyl]pyridine
CID 102482449
[6-[[3-[[6-(hydroxymethyl)-2-pyridinyl]methyl]imidazol-3-ium-1-yl]methyl]-2-pyridinyl]methanol
CID 101382629
3,6-bis[3-(pyridin-2-ylmethyl)imidazol-3-ium-1-yl]pyridazine
CID 102320908
2-(pyridin-2-ylmethyl)-6-(pyrrol-1-ylmethyl)pyridine
CID 59685716
tert-butyl 2-[3-[[6-[[3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]imidazol-1-ium-1-yl]methyl]-2-pyridinyl]methyl]imidazol-3-ium-1-yl]acetate
CID 25146729
2-[3-[[6-[(3-methylimidazol-3-ium-1-yl)methyl]-2-pyridinyl]methyl]imidazol-3-ium-1-yl]acetic acid;bis(2,2,2-trifluoroacetate)
CID 25146632
2-[3-[[6-[[3-(carboxymethyl)imidazol-1-ium-1-yl]methyl]-2-pyridinyl]methyl]imidazol-3-ium-1-yl]acetic acid;bis(2,2,2-trifluoroacetate)
CID 25146630
3,11-bis[3-(pyridin-2-ylmethyl)imidazol-3-ium-1-yl]-1,9-diazatetracyclo[7.7.1.02,7.010,15]heptadeca-2(7),3,5,10(15),11,13-hexaene
CID 102336311
2-methyl-6-[1-(pyridin-2-ylmethyl)imidazol-2-yl]pyridine
CID 156586380
4-benzyl-1-(pyridin-2-ylmethyl)pyridin-1-ium
CID 910896
1-(pyridin-2-ylmethyl)imidazole-4-carboxylic acid
CID 82469769
N-(pyridin-2-ylmethyl)-1-[6-[(pyridin-2-ylmethylamino)methyl]-2-pyridinyl]methanamine
CID 564837

Frequently Asked Questions

What is the IUPAC name of 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine?
The IUPAC name of 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine (CID 102320907) is 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine.
What is the SMILES notation for 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine?
The canonical SMILES for 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine is c1ccc(Cn2cc[n+](Cc3cccc(C[n+]4ccn(Cc5ccccn5)c4)n3)c2)nc1.
What is the InChIKey of 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine?
The InChIKey is OMTBVZAWRSIMPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7/c1-3-10-26-22(6-1)16-29-12-14-31(20-29)18-24-8-5-9-25(28-24)19-32-15-13-30(21-32)17-23-7-2-4-11-27-23/h1-15,20-21H,16-19H2/q+2.
What are the key properties of 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine?
2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine has a molecular weight of 423.52 g/mol, XLogP of 2.24, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-bis[[3-(pyridin-2-ylmethyl)imidazol-1-ium-1-yl]methyl]pyridine is sourced from PubChem (CID 102320907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).