3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

C19H23N3O4 — CID 155405525

IUPAC3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCC(O)CC3)cc21
InChIInChI=1S/C19H23N3O4/c1-21-16-10-12(11-2-5-13(23)6-3-11)4-7-14(16)22(19(21)26)15-8-9-17(24)20-18(15)25/h4,7,10-11,13,15,23H,2-3,5-6,8-9H2,1H3,(H,20,24,25)
InChIKeyHCKFYXCNNUPNIV-UHFFFAOYSA-N
MW357.41 g/mol
LogP1.34
Rot. Bonds2

About 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione

3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (PubChem CID 155405525) has the molecular formula C19H23N3O4 and a molecular weight of 357.41 g/mol. Its IUPAC name is 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.

Molecular Properties

Compound Name3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
PubChem CID155405525
Molecular FormulaC19H23N3O4
Molecular Weight357.41 g/mol
Exact Mass357.17
IUPAC Name3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione
SMILESCn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCC(O)CC3)cc21
InChIInChI=1S/C19H23N3O4/c1-21-16-10-12(11-2-5-13(23)6-3-11)4-7-14(16)22(19(21)26)15-8-9-17(24)20-18(15)25/h4,7,10-11,13,15,23H,2-3,5-6,8-9H2,1H3,(H,20,24,25)
InChIKeyHCKFYXCNNUPNIV-UHFFFAOYSA-N
XLogP1.34
TPSA93.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.41
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The IUPAC name of 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione (CID 155405525) is 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione.
What is the SMILES notation for 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The canonical SMILES for 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is Cn1c(=O)n(C2CCC(=O)NC2=O)c2ccc(C3CCC(O)CC3)cc21.
What is the InChIKey of 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
The InChIKey is HCKFYXCNNUPNIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4/c1-21-16-10-12(11-2-5-13(23)6-3-11)4-7-14(16)22(19(21)26)15-8-9-17(24)20-18(15)25/h4,7,10-11,13,15,23H,2-3,5-6,8-9H2,1H3,(H,20,24,25).
What are the key properties of 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione?
3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione has a molecular weight of 357.41 g/mol, XLogP of 1.34, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(4-hydroxycyclohexyl)-3-methyl-2-oxobenzimidazol-1-yl]piperidine-2,6-dione is sourced from PubChem (CID 155405525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).