2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole

C33H24N2 — CID 175270144

IUPAC2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole
SMILESC=Cc1nc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2[nH]1
InChIInChI=1S/C33H24N2/c1-2-27-34-32-30(25-19-11-5-12-20-25)28(23-15-7-3-8-16-23)29(24-17-9-4-10-18-24)31(33(32)35-27)26-21-13-6-14-22-26/h2-22H,1H2,(H,34,35)
InChIKeyMTVCUSOMFOJDEI-UHFFFAOYSA-N
MW448.57 g/mol
LogP8.87
Rot. Bonds5

About 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole

2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole (PubChem CID 175270144) has the molecular formula C33H24N2 and a molecular weight of 448.57 g/mol. Its IUPAC name is 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole.

Molecular Properties

Compound Name2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole
PubChem CID175270144
Molecular FormulaC33H24N2
Molecular Weight448.57 g/mol
Exact Mass448.19
IUPAC Name2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole
SMILESC=Cc1nc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2[nH]1
InChIInChI=1S/C33H24N2/c1-2-27-34-32-30(25-19-11-5-12-20-25)28(23-15-7-3-8-16-23)29(24-17-9-4-10-18-24)31(33(32)35-27)26-21-13-6-14-22-26/h2-22H,1H2,(H,34,35)
InChIKeyMTVCUSOMFOJDEI-UHFFFAOYSA-N
XLogP8.87
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500448.57
LogP ≤ 58.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole?
The IUPAC name of 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole (CID 175270144) is 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole.
What is the SMILES notation for 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole?
The canonical SMILES for 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole is C=Cc1nc2c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c(-c3ccccc3)c2[nH]1.
What is the InChIKey of 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole?
The InChIKey is MTVCUSOMFOJDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H24N2/c1-2-27-34-32-30(25-19-11-5-12-20-25)28(23-15-7-3-8-16-23)29(24-17-9-4-10-18-24)31(33(32)35-27)26-21-13-6-14-22-26/h2-22H,1H2,(H,34,35).
What are the key properties of 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole?
2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole has a molecular weight of 448.57 g/mol, XLogP of 8.87, 5 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethenyl-4,5,6,7-tetraphenyl-1H-benzimidazole is sourced from PubChem (CID 175270144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).