2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

C17H22N4O2S — CID 2510036

IUPAC2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCCCN3CCCC3=O)[nH]c2c1
InChIInChI=1S/C17H22N4O2S/c1-12-5-6-13-14(10-12)20-17(19-13)24-11-15(22)18-7-3-9-21-8-2-4-16(21)23/h5-6,10H,2-4,7-9,11H2,1H3,(H,18,22)(H,19,20)
InChIKeyXVIJCZZJDZWNKG-UHFFFAOYSA-N
MW346.46 g/mol
LogP2.09
Rot. Bonds7

About 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide

2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (PubChem CID 2510036) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.

Molecular Properties

Compound Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
PubChem CID2510036
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
SMILESCc1ccc2nc(SCC(=O)NCCCN3CCCC3=O)[nH]c2c1
InChIInChI=1S/C17H22N4O2S/c1-12-5-6-13-14(10-12)20-17(19-13)24-11-15(22)18-7-3-9-21-8-2-4-16(21)23/h5-6,10H,2-4,7-9,11H2,1H3,(H,18,22)(H,19,20)
InChIKeyXVIJCZZJDZWNKG-UHFFFAOYSA-N
XLogP2.09
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(2,5-dimethylphenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35499280
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-prop-2-enylacetamide
CID 2522055
2-(2,5-dichlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 8787363
N-[(2R)-butan-2-yl]-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522881
2,6-dimethyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]quinoline-4-carboxamide
CID 30482177
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[7-[[2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetyl]amino]naphthalen-2-yl]acetamide
CID 17325035
N-(2,4-dioxo-1,3-diazaspiro[4.5]decan-3-yl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 7247473
2-(2-chlorophenyl)sulfanyl-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide
CID 35498934
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)acetamide
CID 16524013
N-(furan-2-ylmethyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2359439
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-pyrimidin-2-ylacetamide
CID 2172545
N-(5-fluoro-2-methylphenyl)-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]acetamide
CID 2522671

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The IUPAC name of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide (CID 2510036) is 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide.
What is the SMILES notation for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The canonical SMILES for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is Cc1ccc2nc(SCC(=O)NCCCN3CCCC3=O)[nH]c2c1.
What is the InChIKey of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
The InChIKey is XVIJCZZJDZWNKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-12-5-6-13-14(10-12)20-17(19-13)24-11-15(22)18-7-3-9-21-8-2-4-16(21)23/h5-6,10H,2-4,7-9,11H2,1H3,(H,18,22)(H,19,20).
What are the key properties of 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide?
2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide has a molecular weight of 346.46 g/mol, XLogP of 2.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]-N-[3-(2-oxopyrrolidin-1-yl)propyl]acetamide is sourced from PubChem (CID 2510036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).