6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide

C21H29N5O4 — CID 21348106

IUPAC6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide
SMILESCC(=O)NCCCCC(C(=O)NO)N1CCC(C)(c2nc3ccc(C)cc3[nH]2)C1=O
InChIInChI=1S/C21H29N5O4/c1-13-7-8-15-16(12-13)24-19(23-15)21(3)9-11-26(20(21)29)17(18(28)25-30)6-4-5-10-22-14(2)27/h7-8,12,17,30H,4-6,9-11H2,1-3H3,(H,22,27)(H,23,24)(H,25,28)
InChIKeyXEZBEXWGUIUMAF-UHFFFAOYSA-N
MW415.49 g/mol
LogP1.54
Rot. Bonds8

About 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide

6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide (PubChem CID 21348106) has the molecular formula C21H29N5O4 and a molecular weight of 415.49 g/mol. Its IUPAC name is 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide.

Molecular Properties

Compound Name6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide
PubChem CID21348106
Molecular FormulaC21H29N5O4
Molecular Weight415.49 g/mol
Exact Mass415.22
IUPAC Name6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide
SMILESCC(=O)NCCCCC(C(=O)NO)N1CCC(C)(c2nc3ccc(C)cc3[nH]2)C1=O
InChIInChI=1S/C21H29N5O4/c1-13-7-8-15-16(12-13)24-19(23-15)21(3)9-11-26(20(21)29)17(18(28)25-30)6-4-5-10-22-14(2)27/h7-8,12,17,30H,4-6,9-11H2,1-3H3,(H,22,27)(H,23,24)(H,25,28)
InChIKeyXEZBEXWGUIUMAF-UHFFFAOYSA-N
XLogP1.54
TPSA127.42 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 51.54
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide?
The IUPAC name of 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide (CID 21348106) is 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide.
What is the SMILES notation for 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide?
The canonical SMILES for 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide is CC(=O)NCCCCC(C(=O)NO)N1CCC(C)(c2nc3ccc(C)cc3[nH]2)C1=O.
What is the InChIKey of 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide?
The InChIKey is XEZBEXWGUIUMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N5O4/c1-13-7-8-15-16(12-13)24-19(23-15)21(3)9-11-26(20(21)29)17(18(28)25-30)6-4-5-10-22-14(2)27/h7-8,12,17,30H,4-6,9-11H2,1-3H3,(H,22,27)(H,23,24)(H,25,28).
What are the key properties of 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide?
6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide has a molecular weight of 415.49 g/mol, XLogP of 1.54, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide is sourced from PubChem (CID 21348106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).