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

C18H24N4O3 — CID 21348038

IUPACN-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCc1ccc2nc(C3(C)CCN(C(C(=O)NO)C(C)C)C3=O)[nH]c2c1
InChIInChI=1S/C18H24N4O3/c1-10(2)14(15(23)21-25)22-8-7-18(4,17(22)24)16-19-12-6-5-11(3)9-13(12)20-16/h5-6,9-10,14,25H,7-8H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyFEOCIAPJPNDNJB-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.89
Rot. Bonds4

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

N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide (PubChem CID 21348038) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide.

Molecular Properties

Compound NameN-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide
PubChem CID21348038
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC NameN-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide
SMILESCc1ccc2nc(C3(C)CCN(C(C(=O)NO)C(C)C)C3=O)[nH]c2c1
InChIInChI=1S/C18H24N4O3/c1-10(2)14(15(23)21-25)22-8-7-18(4,17(22)24)16-19-12-6-5-11(3)9-13(12)20-16/h5-6,9-10,14,25H,7-8H2,1-4H3,(H,19,20)(H,21,23)
InChIKeyFEOCIAPJPNDNJB-UHFFFAOYSA-N
XLogP1.89
TPSA98.32 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-acetamido-N-hydroxy-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]hexanamide
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N-hydroxy-3-methyl-2-[3-methyl-3-[2-(3-methylphenyl)ethyl]-2-oxopyrrolidin-1-yl]butanamide
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1-(6-methyl-1H-benzimidazol-2-yl)cyclopropane-1-carboxylic acid
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2-[3-amino-3-[4-[(2,6-dimethylquinolin-4-yl)methoxy]phenyl]-2-oxopyrrolidin-1-yl]-N-hydroxy-3-methylbutanamide
CID 10480114
2-methyl-1-[(3S)-3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-azabicyclo[2.2.1]heptan-2-yl]propan-1-one
CID 126543000
[1-(6-methyl-1H-benzimidazol-2-yl)cyclobutyl]methanamine
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CID 2085547
2-(2,4-dioxoimidazolidin-1-yl)-N-[(1S)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]acetamide
CID 95201522
N-[(1R)-2-methyl-1-(6-methyl-1H-benzimidazol-2-yl)propyl]-3-oxopiperazine-1-carboxamide
CID 126448321
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CID 70754607
3-methyl-1-[(6-methyl-1H-benzimidazol-2-yl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
The IUPAC name of N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide (CID 21348038) is N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide.
What is the SMILES notation for N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
The canonical SMILES for N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide is Cc1ccc2nc(C3(C)CCN(C(C(=O)NO)C(C)C)C3=O)[nH]c2c1.
What is the InChIKey of N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
The InChIKey is FEOCIAPJPNDNJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-10(2)14(15(23)21-25)22-8-7-18(4,17(22)24)16-19-12-6-5-11(3)9-13(12)20-16/h5-6,9-10,14,25H,7-8H2,1-4H3,(H,19,20)(H,21,23).
What are the key properties of N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide?
N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide has a molecular weight of 344.42 g/mol, XLogP of 1.89, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-3-methyl-2-[3-methyl-3-(6-methyl-1H-benzimidazol-2-yl)-2-oxopyrrolidin-1-yl]butanamide is sourced from PubChem (CID 21348038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).