N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide

C19H25N5O5 — CID 143500352

About N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide

N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide (PubChem CID 143500352) has the molecular formula C19H25N5O5 and a molecular weight of 403.44 g/mol. Its IUPAC name is N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide.

Molecular Properties

• Compound Name: N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
• PubChem CID: 143500352
• Molecular Formula: C19H25N5O5
• Molecular Weight: 403.44 g/mol
• Exact Mass: 403.19
• IUPAC Name: N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide
• SMILES: CCCCC(CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1
• InChI: InChI=1S/C19H25N5O5/c1-2-3-5-13(11-22(27)12-25)19(26)23-9-4-6-17(23)18-20-15-8-7-14(24(28)29)10-16(15)21-18/h7-8,10,12-13,17,27H,2-6,9,11H2,1H3,(H,20,21)/t13?,17-/m0/s1
• InChIKey: SAZKWWQMRHTQNR-RUINGEJQSA-N
• XLogP: 2.79
• TPSA: 132.67 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	403.44
LogP ≤ 5	2.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?

The IUPAC name of N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide (CID 143500352) is N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide.

What is the SMILES notation for N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?

The canonical SMILES for N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide is CCCCC(CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccc([N+](=O)[O-])cc2[nH]1.

What is the InChIKey of N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?

The InChIKey is SAZKWWQMRHTQNR-RUINGEJQSA-N. The full InChI is InChI=1S/C19H25N5O5/c1-2-3-5-13(11-22(27)12-25)19(26)23-9-4-6-17(23)18-20-15-8-7-14(24(28)29)10-16(15)21-18/h7-8,10,12-13,17,27H,2-6,9,11H2,1H3,(H,20,21)/t13?,17-/m0/s1.

What are the key properties of N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide?

N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide has a molecular weight of 403.44 g/mol, XLogP of 2.79, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-hydroxy-N-[2-[(2S)-2-(6-nitro-1H-benzimidazol-2-yl)pyrrolidine-1-carbonyl]hexyl]formamide is sourced from PubChem (CID 143500352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).