N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide

C15H16N4O3 — CID 167431165

IUPACN-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide
SMILESCc1nc2c(CC(=O)NC3CCC(=O)NC3=O)cccc2[nH]1
InChIInChI=1S/C15H16N4O3/c1-8-16-10-4-2-3-9(14(10)17-8)7-13(21)18-11-5-6-12(20)19-15(11)22/h2-4,11H,5-7H2,1H3,(H,16,17)(H,18,21)(H,19,20,22)
InChIKeyNVVYRCFHQNNGIC-UHFFFAOYSA-N
MW300.32 g/mol
LogP0.34
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide

N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide (PubChem CID 167431165) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide
PubChem CID167431165
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide
SMILESCc1nc2c(CC(=O)NC3CCC(=O)NC3=O)cccc2[nH]1
InChIInChI=1S/C15H16N4O3/c1-8-16-10-4-2-3-9(14(10)17-8)7-13(21)18-11-5-6-12(20)19-15(11)22/h2-4,11H,5-7H2,1H3,(H,16,17)(H,18,21)(H,19,20,22)
InChIKeyNVVYRCFHQNNGIC-UHFFFAOYSA-N
XLogP0.34
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 50.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide (CID 167431165) is N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide is Cc1nc2c(CC(=O)NC3CCC(=O)NC3=O)cccc2[nH]1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide?
The InChIKey is NVVYRCFHQNNGIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c1-8-16-10-4-2-3-9(14(10)17-8)7-13(21)18-11-5-6-12(20)19-15(11)22/h2-4,11H,5-7H2,1H3,(H,16,17)(H,18,21)(H,19,20,22).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide?
N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide has a molecular weight of 300.32 g/mol, XLogP of 0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-2-(2-methyl-1H-benzimidazol-4-yl)acetamide is sourced from PubChem (CID 167431165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).