2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole

C26H16Cl2N4 — CID 10115148

IUPAC2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(Cl)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C26H16Cl2N4/c27-19-7-1-15(2-8-19)25-29-21-11-5-17(13-23(21)31-25)18-6-12-22-24(14-18)32-26(30-22)16-3-9-20(28)10-4-16/h1-14H,(H,29,31)(H,30,32)
InChIKeyHYSGHHLICDDNCJ-UHFFFAOYSA-N
MW455.35 g/mol
LogP7.75
Rot. Bonds3

About 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole

2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole (PubChem CID 10115148) has the molecular formula C26H16Cl2N4 and a molecular weight of 455.35 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
PubChem CID10115148
Molecular FormulaC26H16Cl2N4
Molecular Weight455.35 g/mol
Exact Mass454.08
IUPAC Name2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(Cl)cc6)[nH]c5c4)cc3[nH]2)cc1
InChIInChI=1S/C26H16Cl2N4/c27-19-7-1-15(2-8-19)25-29-21-11-5-17(13-23(21)31-25)18-6-12-22-24(14-18)32-26(30-22)16-3-9-20(28)10-4-16/h1-14H,(H,29,31)(H,30,32)
InChIKeyHYSGHHLICDDNCJ-UHFFFAOYSA-N
XLogP7.75
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500455.35
LogP ≤ 57.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The IUPAC name of 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole (CID 10115148) is 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole.
What is the SMILES notation for 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The canonical SMILES for 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole is Clc1ccc(-c2nc3ccc(-c4ccc5nc(-c6ccc(Cl)cc6)[nH]c5c4)cc3[nH]2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
The InChIKey is HYSGHHLICDDNCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H16Cl2N4/c27-19-7-1-15(2-8-19)25-29-21-11-5-17(13-23(21)31-25)18-6-12-22-24(14-18)32-26(30-22)16-3-9-20(28)10-4-16/h1-14H,(H,29,31)(H,30,32).
What are the key properties of 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole?
2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole has a molecular weight of 455.35 g/mol, XLogP of 7.75, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-6-[2-(4-chlorophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazole is sourced from PubChem (CID 10115148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).