3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde

C27H38N4O4 — CID 156860636

IUPAC3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde
SMILESC=O.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CCC3CCN(C4CCCCC4)CC3)cc21
InChIInChI=1S/C26H36N4O3.CH2O/c1-28-23-17-19(8-7-18-13-15-29(16-14-18)20-5-3-2-4-6-20)9-10-21(23)30(26(28)33)22-11-12-24(31)27-25(22)32;1-2/h9-10,17-18,20,22H,2-8,11-16H2,1H3,(H,27,31,32);1H2
InChIKeyXSVAQHRCEWYVNL-UHFFFAOYSA-N
MW482.63 g/mol
LogP3.11
Rot. Bonds5

About 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde

3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde (PubChem CID 156860636) has the molecular formula C27H38N4O4 and a molecular weight of 482.63 g/mol. Its IUPAC name is 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde.

Molecular Properties

Compound Name3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde
PubChem CID156860636
Molecular FormulaC27H38N4O4
Molecular Weight482.63 g/mol
Exact Mass482.29
IUPAC Name3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde
SMILESC=O.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CCC3CCN(C4CCCCC4)CC3)cc21
InChIInChI=1S/C26H36N4O3.CH2O/c1-28-23-17-19(8-7-18-13-15-29(16-14-18)20-5-3-2-4-6-20)9-10-21(23)30(26(28)33)22-11-12-24(31)27-25(22)32;1-2/h9-10,17-18,20,22H,2-8,11-16H2,1H3,(H,27,31,32);1H2
InChIKeyXSVAQHRCEWYVNL-UHFFFAOYSA-N
XLogP3.11
TPSA93.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.63
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde with MolForge

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Related Compounds

3-(5-ethyl-3-methyl-2-oxobenzimidazol-1-yl)piperidine-2,6-dione
CID 138727888
3-[5-(aminomethyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 171934885
3-[5-(5-aminopentyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 172915587
3-[3-methyl-5-[2-(3-methylcyclobutyl)oxyethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 167663755
3-[5-[3-(3-aminopropoxy)propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694549
2-[3-[1-(2,6-dioxopiperidin-3-yl)-3-methyl-2-oxobenzimidazol-5-yl]propoxy]acetic acid
CID 155189429
3-[5-[3-[2-(2-aminoethoxy)ethoxy]propyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;hydrochloride
CID 167712757
3-[3-methyl-2-oxo-5-(2-piperazin-1-ylethyl)benzimidazol-1-yl]piperidine-2,6-dione;2,2,2-trifluoroacetic acid
CID 175889280
3-[5-(4-but-3-enylphenyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 156799356
3-[5-[[4-(2,2-dihydroxyethyl)cyclohexyl]methyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 166754498
3-[3-methyl-5-[2-[3-(methylamino)propoxy]ethyl]-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
CID 138694132
2-[4-[[1-[(3S)-2,6-dioxopiperidin-3-yl]-3-methyl-2-oxobenzimidazol-5-yl]methyl]cyclohexyl]acetic acid
CID 155189625

Frequently Asked Questions

What is the IUPAC name of 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde?
The IUPAC name of 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde (CID 156860636) is 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde.
What is the SMILES notation for 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde?
The canonical SMILES for 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde is C=O.Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(CCC3CCN(C4CCCCC4)CC3)cc21.
What is the InChIKey of 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde?
The InChIKey is XSVAQHRCEWYVNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H36N4O3.CH2O/c1-28-23-17-19(8-7-18-13-15-29(16-14-18)20-5-3-2-4-6-20)9-10-21(23)30(26(28)33)22-11-12-24(31)27-25(22)32;1-2/h9-10,17-18,20,22H,2-8,11-16H2,1H3,(H,27,31,32);1H2.
What are the key properties of 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde?
3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde has a molecular weight of 482.63 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[2-(1-cyclohexylpiperidin-4-yl)ethyl]-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione;formaldehyde is sourced from PubChem (CID 156860636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).