3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane

C22H34ClN4O3P — CID 166549570

IUPAC3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane
SMILESCCC.CP.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)c(Cl)c21
InChIInChI=1S/C18H21ClN4O3.C3H8.CH5P/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;1-3-2;1-2/h2-3,10,13,20H,4-9H2,1H3,(H,21,24,25);3H2,1-2H3;2H2,1H3
InChIKeyWCCWEBNKUONMNT-UHFFFAOYSA-N
MW468.97 g/mol
LogP3.35
Rot. Bonds2

About 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane

3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane (PubChem CID 166549570) has the molecular formula C22H34ClN4O3P and a molecular weight of 468.97 g/mol. Its IUPAC name is 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane.

Molecular Properties

Compound Name3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane
PubChem CID166549570
Molecular FormulaC22H34ClN4O3P
Molecular Weight468.97 g/mol
Exact Mass468.21
IUPAC Name3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane
SMILESCCC.CP.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)c(Cl)c21
InChIInChI=1S/C18H21ClN4O3.C3H8.CH5P/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;1-3-2;1-2/h2-3,10,13,20H,4-9H2,1H3,(H,21,24,25);3H2,1-2H3;2H2,1H3
InChIKeyWCCWEBNKUONMNT-UHFFFAOYSA-N
XLogP3.35
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.97
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

ethane;3-(4-fluoro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 170952758
3-[3-methyl-2-oxo-4-(piperidin-4-ylmethyl)benzimidazol-1-yl]piperidine-2,6-dione
CID 146599691
3-[3-methyl-2-oxo-4-(1-propylpiperidin-4-yl)benzimidazol-1-yl]piperidine-2,6-dione
CID 175084296
3-(4-ethyl-3,5-dimethyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 176933360
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-(1-methyl-2-oxospiro[7H-furo[3,2-e]benzimidazole-8,4'-piperidine]-3-yl)piperidine-2,6-dione
CID 172603640
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-[3-methyl-2-oxo-4-[(4-piperidin-4-ylpiperazin-1-yl)methyl]benzimidazol-1-yl]piperidine-2,6-dione
CID 170320481
3-[3-methyl-4-(2-methylpropyl)-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166800461
3-[4-(3-bromoprop-1-ynyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 176695597
3-(3-methyl-2-oxo-4-prop-1-en-2-ylbenzimidazol-1-yl)piperidine-2,6-dione
CID 164567593

Frequently Asked Questions

What is the IUPAC name of 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane?
The IUPAC name of 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane (CID 166549570) is 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane.
What is the SMILES notation for 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane?
The canonical SMILES for 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane is CCC.CP.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCNCC3)c(Cl)c21.
What is the InChIKey of 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane?
The InChIKey is WCCWEBNKUONMNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O3.C3H8.CH5P/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;1-3-2;1-2/h2-3,10,13,20H,4-9H2,1H3,(H,21,24,25);3H2,1-2H3;2H2,1H3.
What are the key properties of 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane?
3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane has a molecular weight of 468.97 g/mol, XLogP of 3.35, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chloro-3-methyl-2-oxo-5-piperidin-4-ylbenzimidazol-1-yl)piperidine-2,6-dione;methylphosphane;propane is sourced from PubChem (CID 166549570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).