2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium

C26H21N4O+ — CID 4062991

IUPAC2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium
SMILESCOc1ccc(C=Cc2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1
InChIInChI=1S/C26H21N4O/c1-31-21-15-12-20(13-16-21)14-17-26-29(24-10-4-6-18-27-24)22-8-2-3-9-23(22)30(26)25-11-5-7-19-28-25/h2-19H,1H3/q+1
InChIKeyFEPCPMZZDLWYTL-UHFFFAOYSA-N
MW405.48 g/mol
LogP4.88
Rot. Bonds5

About 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium

2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium (PubChem CID 4062991) has the molecular formula C26H21N4O+ and a molecular weight of 405.48 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium
PubChem CID4062991
Molecular FormulaC26H21N4O+
Molecular Weight405.48 g/mol
Exact Mass405.17
IUPAC Name2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium
SMILESCOc1ccc(C=Cc2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1
InChIInChI=1S/C26H21N4O/c1-31-21-15-12-20(13-16-21)14-17-26-29(24-10-4-6-18-27-24)22-8-2-3-9-23(22)30(26)25-11-5-7-19-28-25/h2-19H,1H3/q+1
InChIKeyFEPCPMZZDLWYTL-UHFFFAOYSA-N
XLogP4.88
TPSA43.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(E)-2-(4-ethoxyphenyl)ethenyl]-1-pyridin-2-ylbenzimidazole
CID 22736777
2-[(1E,3E)-4-(4-methoxyphenyl)buta-1,3-dienyl]pyridine
CID 87145440
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
(Z)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 5413994
(E)-1-(4-methoxyphenyl)-N-(4-pyridin-2-ylpiperazin-1-yl)methanimine
CID 6896964
2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-methylpyridine;bis(2-pyridin-2-ylpyridine);ruthenium
CID 59005134
5-methoxy-2,3-diphenyl-1-pyridin-2-ylindole
CID 102261827
2-[2-(4-methoxyphenyl)sulfanyl-5-methylpyrrol-1-yl]pyridine
CID 171481612
9-(4-methoxyphenyl)-3-[2-(4-methoxyphenyl)ethenyl]carbazole
CID 54402774
4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]pyridine;[4-[(E)-2-[2-[4-[(E)-2-(4-methoxyphenyl)ethenyl]-2-pyridinyl]-4-pyridinyl]ethenyl]phenyl]methanol;2-pyridin-2-ylpyridine;ruthenium
CID 166511335
[(E)-2-(4-methoxyphenyl)ethenyl]-dimethyl-pyrimidin-2-ylsilane
CID 101268711
3-[2-(4-methoxyphenyl)ethenyl]pyridazine
CID 71344424

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium?
The IUPAC name of 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium (CID 4062991) is 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium?
The canonical SMILES for 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium is COc1ccc(C=Cc2n(-c3ccccn3)c3ccccc3[n+]2-c2ccccn2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium?
The InChIKey is FEPCPMZZDLWYTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N4O/c1-31-21-15-12-20(13-16-21)14-17-26-29(24-10-4-6-18-27-24)22-8-2-3-9-23(22)30(26)25-11-5-7-19-28-25/h2-19H,1H3/q+1.
What are the key properties of 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium?
2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium has a molecular weight of 405.48 g/mol, XLogP of 4.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methoxyphenyl)ethenyl]-1,3-dipyridin-2-ylbenzimidazol-3-ium is sourced from PubChem (CID 4062991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).