6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine

C31H22N6 — CID 142374029

IUPAC6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2cccc(-c3nc4ccccc4[nH]3)c2)c2cccc(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C31H22N6/c1-2-11-22(12-3-1)37(23-13-8-10-21(20-23)30-33-24-14-4-5-15-25(24)34-30)29-19-9-18-28(32-29)31-35-26-16-6-7-17-27(26)36-31/h1-20H,(H,33,34)(H,35,36)
InChIKeyOZEPVWXORVWARD-UHFFFAOYSA-N
MW478.56 g/mol
LogP7.64
Rot. Bonds5

About 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine

6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine (PubChem CID 142374029) has the molecular formula C31H22N6 and a molecular weight of 478.56 g/mol. Its IUPAC name is 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine.

Molecular Properties

Compound Name6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine
PubChem CID142374029
Molecular FormulaC31H22N6
Molecular Weight478.56 g/mol
Exact Mass478.19
IUPAC Name6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine
SMILESc1ccc(N(c2cccc(-c3nc4ccccc4[nH]3)c2)c2cccc(-c3nc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C31H22N6/c1-2-11-22(12-3-1)37(23-13-8-10-21(20-23)30-33-24-14-4-5-15-25(24)34-30)29-19-9-18-28(32-29)31-35-26-16-6-7-17-27(26)36-31/h1-20H,(H,33,34)(H,35,36)
InChIKeyOZEPVWXORVWARD-UHFFFAOYSA-N
XLogP7.64
TPSA73.49 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.56
LogP ≤ 57.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

zinc;2-[6-(1H-benzimidazol-2-yl)-2-pyridinyl]-1H-benzimidazole;dichloride
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CID 132966859
N,N-diphenyl-6-[3-(N-pyridin-2-ylanilino)phenyl]pyridin-2-amine
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2-(3-phenoxyphenyl)-1H-benzimidazole
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6-(1H-benzimidazol-2-yl)-N-methyl-N-phenylpyridine-2-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine?
The IUPAC name of 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine (CID 142374029) is 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine.
What is the SMILES notation for 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine?
The canonical SMILES for 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine is c1ccc(N(c2cccc(-c3nc4ccccc4[nH]3)c2)c2cccc(-c3nc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine?
The InChIKey is OZEPVWXORVWARD-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6/c1-2-11-22(12-3-1)37(23-13-8-10-21(20-23)30-33-24-14-4-5-15-25(24)34-30)29-19-9-18-28(32-29)31-35-26-16-6-7-17-27(26)36-31/h1-20H,(H,33,34)(H,35,36).
What are the key properties of 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine?
6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine has a molecular weight of 478.56 g/mol, XLogP of 7.64, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1H-benzimidazol-2-yl)-N-[3-(1H-benzimidazol-2-yl)phenyl]-N-phenylpyridin-2-amine is sourced from PubChem (CID 142374029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).