N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide

C16H18N4O4 — CID 138491626

IUPACN-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H18N4O4/c1-9(21)17-8-10-3-4-11-13(7-10)19(2)16(24)20(11)12-5-6-14(22)18-15(12)23/h3-4,7,12H,5-6,8H2,1-2H3,(H,17,21)(H,18,22,23)
InChIKeyZKCYTCXXLWTSHO-UHFFFAOYSA-N
MW330.34 g/mol
LogP-0.05
Rot. Bonds3

About N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide

N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide (PubChem CID 138491626) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide
PubChem CID138491626
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC NameN-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide
SMILESCC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O
InChIInChI=1S/C16H18N4O4/c1-9(21)17-8-10-3-4-11-13(7-10)19(2)16(24)20(11)12-5-6-14(22)18-15(12)23/h3-4,7,12H,5-6,8H2,1-2H3,(H,17,21)(H,18,22,23)
InChIKeyZKCYTCXXLWTSHO-UHFFFAOYSA-N
XLogP-0.05
TPSA102.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(S)-N-(1-amino-3,3-dimethyl-1-oxobutan-2-yl)-3-isopentyl-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 44576654
2-(3-(1-((1r,4r)-4-isopropylcyclohexyl)piperidin-4-yl)-2-oxo-2,3-dihydro-1H-benzo[d]imidazol-1-yl)-N-methylacetamide
CID 45102745
Pyrrolidine-1,2-dicarboxylic acid 2-(4-methyl-benzylamide) 1-p-tolylamide
CID 3221243
N-ethyl-2-[3-(3-methylbutyl)-1-(4-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 4212204
N-ethyl-2-[3-(3-methylbutyl)-1-(3-methylphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 17382445
2-(3-methyl-2-oxo-2,3-dihydro-1H-benzimidazol-1-yl)-N-(2-methylphenyl)acetamide
CID 664058
N-((2S,3S)-1-amino-3-methyl-1-oxopentan-2-yl)-3-(2-morpholinoethyl)-2-oxo-2,3-dihydrobenzo[d]imidazole-1-carboxamide
CID 11553971
7-((dimethylamino)methyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 45268640
7-(pyrrolidin-1-ylmethyl)-1,2,3,3a-tetrahydropyrrolo[1,2-a]quinoxalin-4(5H)-one
CID 45272044
5-Methyl-5-[3-oxo-3-(4-phenylpiperazin-1-yl)propyl]imidazolidine-2,4-dione
CID 121437897
(2R)-N-[(2R)-6-amino-1-oxo-1-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]hexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 59751675
N-methyl-2-(2-oxo-6-phenyl-2,3-dihydro-1H-benzimidazol-1-yl)-N-phenylacetamide
CID 23153799

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide?
The IUPAC name of N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide (CID 138491626) is N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide?
The canonical SMILES for N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide is CC(=O)NCc1ccc2c(c1)n(C)c(=O)n2C1CCC(=O)NC1=O.
What is the InChIKey of N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide?
The InChIKey is ZKCYTCXXLWTSHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-9(21)17-8-10-3-4-11-13(7-10)19(2)16(24)20(11)12-5-6-14(22)18-15(12)23/h3-4,7,12H,5-6,8H2,1-2H3,(H,17,21)(H,18,22,23).
What are the key properties of N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide?
N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide has a molecular weight of 330.34 g/mol, XLogP of -0.05, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]methyl]acetamide is sourced from PubChem (CID 138491626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).