1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole

C24H18N4 — CID 123638646

IUPAC1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole
SMILESC(=Cc1cccc(-n2cnc3ccccc32)c1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C24H18N4/c1-2-10-24-23(9-1)26-18-28(24)22-8-4-6-20(16-22)12-11-19-5-3-7-21(15-19)27-14-13-25-17-27/h1-18H
InChIKeyUAHCUKLQZVRKEP-UHFFFAOYSA-N
MW362.44 g/mol
LogP5.38
Rot. Bonds4

About 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole

1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole (PubChem CID 123638646) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole.

Molecular Properties

Compound Name1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole
PubChem CID123638646
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole
SMILESC(=Cc1cccc(-n2cnc3ccccc32)c1)c1cccc(-n2ccnc2)c1
InChIInChI=1S/C24H18N4/c1-2-10-24-23(9-1)26-18-28(24)22-8-4-6-20(16-22)12-11-19-5-3-7-21(15-19)27-14-13-25-17-27/h1-18H
InChIKeyUAHCUKLQZVRKEP-UHFFFAOYSA-N
XLogP5.38
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine
CID 130177862
4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
CID 123739580
1-[1-(3-imidazol-1-ylphenyl)benzimidazol-5-yl]ethanol
CID 11415465
1-(3-imidazol-1-ylphenyl)-5-(1-propan-2-yloxyethyl)benzimidazole
CID 11484788
CID 149192166
CID 149192166
N-(benzimidazol-1-yl)-3-imidazol-1-ylbenzamide
CID 57066287
1-(3-imidazol-1-ylphenyl)-5-(propoxymethyl)benzimidazole
CID 11198357
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
1-(benzimidazol-1-yl)-3-[1-(3-imidazol-1-ylphenyl)ethyl]urea
CID 71990747
1-[3-butoxy-4-[2-(3-chlorophenyl)ethenyl]phenyl]imidazole;hydrochloride
CID 67859829
4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]-2-[4-[(E)-2-(4-imidazol-1-ylphenyl)ethenyl]pyridin-1-ium-2-yl]pyridine
CID 135579652

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole?
The IUPAC name of 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole (CID 123638646) is 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole.
What is the SMILES notation for 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole?
The canonical SMILES for 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole is C(=Cc1cccc(-n2cnc3ccccc32)c1)c1cccc(-n2ccnc2)c1.
What is the InChIKey of 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole?
The InChIKey is UAHCUKLQZVRKEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4/c1-2-10-24-23(9-1)26-18-28(24)22-8-4-6-20(16-22)12-11-19-5-3-7-21(15-19)27-14-13-25-17-27/h1-18H.
What are the key properties of 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole?
1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole has a molecular weight of 362.44 g/mol, XLogP of 5.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole is sourced from PubChem (CID 123638646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).