6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole

C22H16N8 — CID 54074890

IUPAC6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole
SMILESC(=Cc1nc2ccc(-c3ncc[nH]3)cc2[nH]1)c1nc2ccc(-c3ncc[nH]3)cc2[nH]1
InChIInChI=1S/C22H16N8/c1-3-15-17(11-13(1)21-23-7-8-24-21)29-19(27-15)5-6-20-28-16-4-2-14(12-18(16)30-20)22-25-9-10-26-22/h1-12H,(H,23,24)(H,25,26)(H,27,29)(H,28,30)
InChIKeyMIZNGXWRLBTRMQ-UHFFFAOYSA-N
MW392.43 g/mol
LogP4.39
Rot. Bonds4

About 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole

6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole (PubChem CID 54074890) has the molecular formula C22H16N8 and a molecular weight of 392.43 g/mol. Its IUPAC name is 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole.

Molecular Properties

Compound Name6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole
PubChem CID54074890
Molecular FormulaC22H16N8
Molecular Weight392.43 g/mol
Exact Mass392.15
IUPAC Name6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole
SMILESC(=Cc1nc2ccc(-c3ncc[nH]3)cc2[nH]1)c1nc2ccc(-c3ncc[nH]3)cc2[nH]1
InChIInChI=1S/C22H16N8/c1-3-15-17(11-13(1)21-23-7-8-24-21)29-19(27-15)5-6-20-28-16-4-2-14(12-18(16)30-20)22-25-9-10-26-22/h1-12H,(H,23,24)(H,25,26)(H,27,29)(H,28,30)
InChIKeyMIZNGXWRLBTRMQ-UHFFFAOYSA-N
XLogP4.39
TPSA114.72 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.43
LogP ≤ 54.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole?
The IUPAC name of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole (CID 54074890) is 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole.
What is the SMILES notation for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole?
The canonical SMILES for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole is C(=Cc1nc2ccc(-c3ncc[nH]3)cc2[nH]1)c1nc2ccc(-c3ncc[nH]3)cc2[nH]1.
What is the InChIKey of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole?
The InChIKey is MIZNGXWRLBTRMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N8/c1-3-15-17(11-13(1)21-23-7-8-24-21)29-19(27-15)5-6-20-28-16-4-2-14(12-18(16)30-20)22-25-9-10-26-22/h1-12H,(H,23,24)(H,25,26)(H,27,29)(H,28,30).
What are the key properties of 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole?
6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole has a molecular weight of 392.43 g/mol, XLogP of 4.39, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-imidazol-2-yl)-2-[2-[6-(1H-imidazol-2-yl)-1H-benzimidazol-2-yl]ethenyl]-1H-benzimidazole is sourced from PubChem (CID 54074890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).