1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione

C14H15N3O2 — CID 60975490

IUPAC1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione
SMILESCC(c1nc2ccccc2[nH]1)N1C(=O)CCCC1=O
InChIInChI=1S/C14H15N3O2/c1-9(17-12(18)7-4-8-13(17)19)14-15-10-5-2-3-6-11(10)16-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)
InChIKeyUFHCSWZAERIGMO-UHFFFAOYSA-N
MW257.29 g/mol
LogP2.16
Rot. Bonds2

About 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione

1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione (PubChem CID 60975490) has the molecular formula C14H15N3O2 and a molecular weight of 257.29 g/mol. Its IUPAC name is 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione.

Molecular Properties

Compound Name1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione
PubChem CID60975490
Molecular FormulaC14H15N3O2
Molecular Weight257.29 g/mol
Exact Mass257.12
IUPAC Name1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione
SMILESCC(c1nc2ccccc2[nH]1)N1C(=O)CCCC1=O
InChIInChI=1S/C14H15N3O2/c1-9(17-12(18)7-4-8-13(17)19)14-15-10-5-2-3-6-11(10)16-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16)
InChIKeyUFHCSWZAERIGMO-UHFFFAOYSA-N
XLogP2.16
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.29
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethyl]azepane-2,7-dione
CID 60975345
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylpyrrole-2,5-dione
CID 60975491
4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione
CID 107409781
2-propan-2-yl-1H-benzimidazole
CID 22121
2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336437
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-[1-(1H-benzimidazol-2-yl)ethylamino]propanoic acid
CID 66173148
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-propan-2-ylurea
CID 23548549
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-[3-(2-oxopyrrolidin-1-yl)phenyl]urea
CID 86988041
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione?
The IUPAC name of 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione (CID 60975490) is 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione.
What is the SMILES notation for 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione?
The canonical SMILES for 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione is CC(c1nc2ccccc2[nH]1)N1C(=O)CCCC1=O.
What is the InChIKey of 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione?
The InChIKey is UFHCSWZAERIGMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O2/c1-9(17-12(18)7-4-8-13(17)19)14-15-10-5-2-3-6-11(10)16-14/h2-3,5-6,9H,4,7-8H2,1H3,(H,15,16).
What are the key properties of 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione?
1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione has a molecular weight of 257.29 g/mol, XLogP of 2.16, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione is sourced from PubChem (CID 60975490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).