N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide

C16H15FN4O4 — CID 166152189

IUPACN-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC3CCC(=O)NC3=O)c(F)ccc2n1CC=O
InChIInChI=1S/C16H15FN4O4/c1-8-18-14-11(21(8)6-7-22)4-2-9(17)13(14)16(25)19-10-3-5-12(23)20-15(10)24/h2,4,7,10H,3,5-6H2,1H3,(H,19,25)(H,20,23,24)
InChIKeyICGWDCZVVCACGS-UHFFFAOYSA-N
MW346.32 g/mol
LogP0.22
Rot. Bonds4

About N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide

N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide (PubChem CID 166152189) has the molecular formula C16H15FN4O4 and a molecular weight of 346.32 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide
PubChem CID166152189
Molecular FormulaC16H15FN4O4
Molecular Weight346.32 g/mol
Exact Mass346.11
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide
SMILESCc1nc2c(C(=O)NC3CCC(=O)NC3=O)c(F)ccc2n1CC=O
InChIInChI=1S/C16H15FN4O4/c1-8-18-14-11(21(8)6-7-22)4-2-9(17)13(14)16(25)19-10-3-5-12(23)20-15(10)24/h2,4,7,10H,3,5-6H2,1H3,(H,19,25)(H,20,23,24)
InChIKeyICGWDCZVVCACGS-UHFFFAOYSA-N
XLogP0.22
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.32
LogP ≤ 50.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Felcisetrag
CID 11961293
2-(1-propylpiperidin-4-yl)-1H-benzimidazole-4-carboxamide
CID 9925908
AG-14361
CID 9840076
2-(1-methylpiperidin-3-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9817572
2-(1-acetylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 9925900
2-(2-methylpiperidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960919
2-(2-methyl-1-propylpiperidin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 11960920
2-[4-methyl-1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 11960923
2-(piperazin-2-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 18428022
2-[1-(propan-2-yl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 18428049
2-[1-(propan-2-yl)piperidin-3-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 18428182
2-(1-methylpiperidin-4-yl)-1H-1,3-benzodiazole-4-carboxamide
CID 18428218

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide (CID 166152189) is N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide is Cc1nc2c(C(=O)NC3CCC(=O)NC3=O)c(F)ccc2n1CC=O.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide?
The InChIKey is ICGWDCZVVCACGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O4/c1-8-18-14-11(21(8)6-7-22)4-2-9(17)13(14)16(25)19-10-3-5-12(23)20-15(10)24/h2,4,7,10H,3,5-6H2,1H3,(H,19,25)(H,20,23,24).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide?
N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide has a molecular weight of 346.32 g/mol, XLogP of 0.22, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-5-fluoro-2-methyl-1-(2-oxoethyl)benzimidazole-4-carboxamide is sourced from PubChem (CID 166152189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).