2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide

C36H28N6O2 — CID 3106744

About 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide

2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide (PubChem CID 3106744) has the molecular formula C36H28N6O2 and a molecular weight of 576.66 g/mol. Its IUPAC name is 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide.

Molecular Properties

• Compound Name: 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
• PubChem CID: 3106744
• Molecular Formula: C36H28N6O2
• Molecular Weight: 576.66 g/mol
• Exact Mass: 576.23
• IUPAC Name: 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide
• SMILES: O=C(Cc1ccccc1)Nc1ccc2nc(-c3ccc(-c4nc5ccc(NC(=O)Cc6ccccc6)cc5[nH]4)cc3)[nH]c2c1
• InChI: InChI=1S/C36H28N6O2/c43-33(19-23-7-3-1-4-8-23)37-27-15-17-29-31(21-27)41-35(39-29)25-11-13-26(14-12-25)36-40-30-18-16-28(22-32(30)42-36)38-34(44)20-24-9-5-2-6-10-24/h1-18,21-22H,19-20H2,(H,37,43)(H,38,44)(H,39,41)(H,40,42)
• InChIKey: FUMUGEGJFBOQRC-UHFFFAOYSA-N
• XLogP: 7.14
• TPSA: 115.56 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	576.66
LogP ≤ 5	7.14
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide?

The IUPAC name of 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide (CID 3106744) is 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide.

What is the SMILES notation for 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide?

The canonical SMILES for 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide is O=C(Cc1ccccc1)Nc1ccc2nc(-c3ccc(-c4nc5ccc(NC(=O)Cc6ccccc6)cc5[nH]4)cc3)[nH]c2c1.

What is the InChIKey of 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide?

The InChIKey is FUMUGEGJFBOQRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H28N6O2/c43-33(19-23-7-3-1-4-8-23)37-27-15-17-29-31(21-27)41-35(39-29)25-11-13-26(14-12-25)36-40-30-18-16-28(22-32(30)42-36)38-34(44)20-24-9-5-2-6-10-24/h1-18,21-22H,19-20H2,(H,37,43)(H,38,44)(H,39,41)(H,40,42).

What are the key properties of 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide?

2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide has a molecular weight of 576.66 g/mol, XLogP of 7.14, 8 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-phenyl-N-[2-[4-[6-[(2-phenylacetyl)amino]-1H-benzimidazol-2-yl]phenyl]-3H-benzimidazol-5-yl]acetamide is sourced from PubChem (CID 3106744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).