N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide

C26H24N6O4 — CID 24798659

About N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide

N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide (PubChem CID 24798659) has the molecular formula C26H24N6O4 and a molecular weight of 484.52 g/mol. Its IUPAC name is N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide
• PubChem CID: 24798659
• Molecular Formula: C26H24N6O4
• Molecular Weight: 484.52 g/mol
• Exact Mass: 484.19
• IUPAC Name: N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide
• SMILES: COc1ccc2[nH]c(C(=O)NC(c3ccccc3)C(O)C(=O)Nc3ccc4nc(N)[nH]c4c3)cc2c1
• InChI: InChI=1S/C26H24N6O4/c1-36-17-8-10-18-15(11-17)12-21(29-18)24(34)32-22(14-5-3-2-4-6-14)23(33)25(35)28-16-7-9-19-20(13-16)31-26(27)30-19/h2-13,22-23,29,33H,1H3,(H,28,35)(H,32,34)(H3,27,30,31)
• InChIKey: IZZMJHSWGBJQGW-UHFFFAOYSA-N
• XLogP: 3.11
• TPSA: 158.15 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.52
LogP ≤ 5	3.11
H-Bond Donors ≤ 5	6
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]-5-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide (CID 24798659) is N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide.

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

The canonical SMILES for N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide is COc1ccc2[nH]c(C(=O)NC(c3ccccc3)C(O)C(=O)Nc3ccc4nc(N)[nH]c4c3)cc2c1.

What is the InChIKey of N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide?

The InChIKey is IZZMJHSWGBJQGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N6O4/c1-36-17-8-10-18-15(11-17)12-21(29-18)24(34)32-22(14-5-3-2-4-6-14)23(33)25(35)28-16-7-9-19-20(13-16)31-26(27)30-19/h2-13,22-23,29,33H,1H3,(H,28,35)(H,32,34)(H3,27,30,31).

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

N-[3-[(2-amino-3H-benzimidazol-5-yl)amino]-2-hydroxy-3-oxo-1-phenylpropyl]-5-methoxy-1H-indole-2-carboxamide has a molecular weight of 484.52 g/mol, XLogP of 3.11, 7 rotatable bonds, 6 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]-5-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 24798659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).