1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine

C23H19N3 — CID 130177862

IUPAC1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C23H19N3/c1-24-16-20-13-10-18(11-14-20)9-12-19-5-4-6-21(15-19)26-17-25-22-7-2-3-8-23(22)26/h2-17H,1H3/b12-9+,24-16+
InChIKeyAYBWZLVCPUYNKO-FHVNQGANSA-N
MW337.43 g/mol
LogP5.24
Rot. Bonds4

About 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine

1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine (PubChem CID 130177862) has the molecular formula C23H19N3 and a molecular weight of 337.43 g/mol. Its IUPAC name is 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine.

Molecular Properties

Compound Name1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine
PubChem CID130177862
Molecular FormulaC23H19N3
Molecular Weight337.43 g/mol
Exact Mass337.16
IUPAC Name1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine
SMILESC/N=C/c1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1
InChIInChI=1S/C23H19N3/c1-24-16-20-13-10-18(11-14-20)9-12-19-5-4-6-21(15-19)26-17-25-22-7-2-3-8-23(22)26/h2-17H,1H3/b12-9+,24-16+
InChIKeyAYBWZLVCPUYNKO-FHVNQGANSA-N
XLogP5.24
TPSA30.18 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500337.43
LogP ≤ 55.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}

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Related Compounds

4-[2-[3-(benzimidazol-1-yl)phenyl]ethenyl]benzoic acid
CID 123739580
1-[3-[2-(3-imidazol-1-ylphenyl)ethenyl]phenyl]benzimidazole
CID 123638646
CID 149192166
CID 149192166
4-(benzimidazol-1-yl)benzaldehyde
CID 737733
[3-(benzimidazol-1-yl)phenyl]-diphenylphosphane
CID 89051577
6-amino-1-[(Z)-[4-(benzimidazol-1-yl)phenyl]methylideneamino]-4-methylpyridin-2-one
CID 9025127
1-[4-(2-nitroprop-1-enyl)phenyl]benzimidazole
CID 54112099
1-[3-[3-(trifluoromethyl)phenyl]phenyl]benzimidazole
CID 18957886
1H-benzimidazole;1-(3-bromophenyl)benzimidazole;1,3-dibromobenzene
CID 162220915
(2S)-2-[3-(benzimidazol-1-yl)phenoxy]propanamide
CID 95147655
3-[3-(benzimidazol-1-yl)phenyl]-1,2-oxazole
CID 141095825
2-[3-(benzimidazol-1-yl)phenoxy]acetic acid
CID 82514442

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine?
The IUPAC name of 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine (CID 130177862) is 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine.
What is the SMILES notation for 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine?
The canonical SMILES for 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine is C/N=C/c1ccc(/C=C/c2cccc(-n3cnc4ccccc43)c2)cc1.
What is the InChIKey of 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine?
The InChIKey is AYBWZLVCPUYNKO-FHVNQGANSA-N. The full InChI is InChI=1S/C23H19N3/c1-24-16-20-13-10-18(11-14-20)9-12-19-5-4-6-21(15-19)26-17-25-22-7-2-3-8-23(22)26/h2-17H,1H3/b12-9+,24-16+.
What are the key properties of 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine?
1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine has a molecular weight of 337.43 g/mol, XLogP of 5.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(E)-2-[3-(benzimidazol-1-yl)phenyl]ethenyl]phenyl]-N-methylmethanimine is sourced from PubChem (CID 130177862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).