N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide

C28H24N6O3 — CID 66658182

About N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide

N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide (PubChem CID 66658182) has the molecular formula C28H24N6O3 and a molecular weight of 492.54 g/mol. Its IUPAC name is N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide.

Molecular Properties

• Compound Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide
• PubChem CID: 66658182
• Molecular Formula: C28H24N6O3
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.19
• IUPAC Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide
• SMILES: Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(-c4cccnc4)cc3)c3ccccc3)cc2[nH]1
• InChI: InChI=1S/C28H24N6O3/c29-28-32-22-13-12-21(15-23(22)33-28)31-27(37)25(35)24(18-5-2-1-3-6-18)34-26(36)19-10-8-17(9-11-19)20-7-4-14-30-16-20/h1-16,24-25,35H,(H,31,37)(H,34,36)(H3,29,32,33)
• InChIKey: AOACICOHOFJKNE-UHFFFAOYSA-N
• XLogP: 3.68
• TPSA: 146.02 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	3.68
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide?

The IUPAC name of N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide (CID 66658182) is N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide.

What is the SMILES notation for N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide?

The canonical SMILES for N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide is Nc1nc2ccc(NC(=O)C(O)C(NC(=O)c3ccc(-c4cccnc4)cc3)c3ccccc3)cc2[nH]1.

What is the InChIKey of N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide?

The InChIKey is AOACICOHOFJKNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N6O3/c29-28-32-22-13-12-21(15-23(22)33-28)31-27(37)25(35)24(18-5-2-1-3-6-18)34-26(36)19-10-8-17(9-11-19)20-7-4-14-30-16-20/h1-16,24-25,35H,(H,31,37)(H,34,36)(H3,29,32,33).

What are the key properties of N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide?

N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide has a molecular weight of 492.54 g/mol, XLogP of 3.68, 7 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-4-pyridin-3-ylbenzamide is sourced from PubChem (CID 66658182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).