ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione

C20H27FN4O3 — CID 170952758

IUPACethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCC.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)c(F)c21
InChIInChI=1S/C18H21FN4O3.C2H6/c1-22-16-12(3-2-11(15(16)19)10-6-8-20-9-7-10)23(18(22)26)13-4-5-14(24)21-17(13)25;1-2/h2-3,10,13,20H,4-9H2,1H3,(H,21,24,25);1-2H3
InChIKeyWWNVRJFDSDBKNQ-UHFFFAOYSA-N
MW390.46 g/mol
LogP1.95
Rot. Bonds2

About ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione

ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione (PubChem CID 170952758) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione.

Molecular Properties

Compound Nameethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione
PubChem CID170952758
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Nameethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione
SMILESCC.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)c(F)c21
InChIInChI=1S/C18H21FN4O3.C2H6/c1-22-16-12(3-2-11(15(16)19)10-6-8-20-9-7-10)23(18(22)26)13-4-5-14(24)21-17(13)25;1-2/h2-3,10,13,20H,4-9H2,1H3,(H,21,24,25);1-2H3
InChIKeyWWNVRJFDSDBKNQ-UHFFFAOYSA-N
XLogP1.95
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione with MolForge

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Launch Full Analysis

Related Compounds

3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane
CID 166549570
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-[4-[(3R,4R)-3-fluoropiperidin-4-yl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 169121079
3-(3,4-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione;ethane
CID 163400444
3-[3-methyl-2-oxo-4-(1-propylpiperidin-4-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 175084296
3-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione
CID 172603640
3-[4-(3,3-difluoro-1-methylpiperidin-4-yl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 169120222
2-[1-(2,6-dioxopiperidin-3-yl)-5-fluoro-3-methyl-2-oxobenzimidazol-4-yl]acetaldehyde
CID 166948213
3-[3-methyl-2-oxo-4-[[4-(piperidin-4-ylmethyl)piperidin-1-yl]methyl]benzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 175814867
3-[5-[4-(cyclohexylmethyl)piperazin-1-yl]-4-fluoro-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 170953540
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360

Frequently Asked Questions

What is the IUPAC name of ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The IUPAC name of ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione (CID 170952758) is ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione.
What is the SMILES notation for ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The canonical SMILES for ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione is CC.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)c(F)c21.
What is the InChIKey of ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione?
The InChIKey is WWNVRJFDSDBKNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O3.C2H6/c1-22-16-12(3-2-11(15(16)19)10-6-8-20-9-7-10)23(18(22)26)13-4-5-14(24)21-17(13)25;1-2/h2-3,10,13,20H,4-9H2,1H3,(H,21,24,25);1-2H3.
What are the key properties of ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione?
ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione has a molecular weight of 390.46 g/mol, XLogP of 1.95, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione is sourced from PubChem (CID 170952758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).