2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole

C24H18N4 — CID 118867901

IUPAC2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole
SMILESC(=C/c1ccccc1-c1cnc[nH]1)\c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H18N4/c1-2-9-20(23-15-25-16-26-23)18(7-1)13-12-17-6-5-8-19(14-17)24-27-21-10-3-4-11-22(21)28-24/h1-16H,(H,25,26)(H,27,28)/b13-12+
InChIKeyNKMNASYBYMKZNK-OUKQBFOZSA-N
MW362.44 g/mol
LogP5.79
Rot. Bonds4

About 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole

2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole (PubChem CID 118867901) has the molecular formula C24H18N4 and a molecular weight of 362.44 g/mol. Its IUPAC name is 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole
PubChem CID118867901
Molecular FormulaC24H18N4
Molecular Weight362.44 g/mol
Exact Mass362.15
IUPAC Name2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole
SMILESC(=C/c1ccccc1-c1cnc[nH]1)\c1cccc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C24H18N4/c1-2-9-20(23-15-25-16-26-23)18(7-1)13-12-17-6-5-8-19(14-17)24-27-21-10-3-4-11-22(21)28-24/h1-16H,(H,25,26)(H,27,28)/b13-12+
InChIKeyNKMNASYBYMKZNK-OUKQBFOZSA-N
XLogP5.79
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.44
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-[3-[2-(3,4-dimethoxyphenyl)ethenyl]phenyl]-1H-benzimidazole
CID 154048615
3-(1H-benzimidazol-2-yl)-N,N-dimethylbenzamide
CID 168555256
2-[[3-(1H-benzimidazol-2-yl)phenyl]iminomethyl]phenol
CID 682053
azane;2-phenyl-1H-benzimidazole
CID 172858780
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-(3-bromophenyl)-1H-benzimidazole;ethane
CID 143816010
2-phenyl-1H-benzimidazole;zirconium(4+);tetrachloride
CID 173061121
2-(3-phenoxyphenyl)-1H-benzimidazole
CID 1042921
2-(3-methylsulfanylphenyl)-1H-benzimidazole
CID 168553583
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
1-[4-[3-(1H-benzimidazol-2-yl)benzoyl]-1,4-diazepan-1-yl]ethanone
CID 119063003

Frequently Asked Questions

What is the IUPAC name of 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole?
The IUPAC name of 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole (CID 118867901) is 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole.
What is the SMILES notation for 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole?
The canonical SMILES for 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole is C(=C/c1ccccc1-c1cnc[nH]1)\c1cccc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole?
The InChIKey is NKMNASYBYMKZNK-OUKQBFOZSA-N. The full InChI is InChI=1S/C24H18N4/c1-2-9-20(23-15-25-16-26-23)18(7-1)13-12-17-6-5-8-19(14-17)24-27-21-10-3-4-11-22(21)28-24/h1-16H,(H,25,26)(H,27,28)/b13-12+.
What are the key properties of 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole?
2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole has a molecular weight of 362.44 g/mol, XLogP of 5.79, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(E)-2-[2-(1H-imidazol-5-yl)phenyl]ethenyl]phenyl]-1H-benzimidazole is sourced from PubChem (CID 118867901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).