4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione

C11H11N5O2 — CID 107409781

IUPAC4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCC(c1nc2ccccc2[nH]1)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C11H11N5O2/c1-6(16-10(17)14-15-11(16)18)9-12-7-4-2-3-5-8(7)13-9/h2-6H,1H3,(H,12,13)(H,14,17)(H,15,18)
InChIKeyDAADERWJNKUAGE-UHFFFAOYSA-N
MW245.24 g/mol
LogP0.35
Rot. Bonds2

About 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione

4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione (PubChem CID 107409781) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione.

Molecular Properties

Compound Name4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione
PubChem CID107409781
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione
SMILESCC(c1nc2ccccc2[nH]1)n1c(=O)[nH][nH]c1=O
InChIInChI=1S/C11H11N5O2/c1-6(16-10(17)14-15-11(16)18)9-12-7-4-2-3-5-8(7)13-9/h2-6H,1H3,(H,12,13)(H,14,17)(H,15,18)
InChIKeyDAADERWJNKUAGE-UHFFFAOYSA-N
XLogP0.35
TPSA99.33 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 50.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[1-(1H-benzimidazol-2-yl)ethyl]piperidine-2,6-dione
CID 60975490
1-[1-(1H-benzimidazol-2-yl)ethyl]azepane-2,7-dione
CID 60975345
2-propan-2-yl-1H-benzimidazole
CID 22121
1-[1-(1H-benzimidazol-2-yl)ethyl]-3-methylpyrrole-2,5-dione
CID 60975491
(1S)-1-(1H-benzimidazol-2-yl)ethanol
CID 139074850
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
[(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropyl]azanium
CID 7008225
2-[1-(3,5-dimethylpiperidin-1-yl)ethyl]-1H-benzimidazole
CID 82336437
(1R)-1-(1H-benzimidazol-2-yl)-2-methylpropan-1-amine;dihydrochloride
CID 112756298
2-[(1R)-1-[4-(2-methylpropyl)phenyl]ethyl]-1H-benzimidazole
CID 709607
2-(2-methyl-1-phenylpropyl)-1H-benzimidazole
CID 146180752
N-[1-(1H-benzimidazol-2-yl)ethyl]acetamide
CID 3149717

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione?
The IUPAC name of 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione (CID 107409781) is 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione.
What is the SMILES notation for 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione?
The canonical SMILES for 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione is CC(c1nc2ccccc2[nH]1)n1c(=O)[nH][nH]c1=O.
What is the InChIKey of 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione?
The InChIKey is DAADERWJNKUAGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-6(16-10(17)14-15-11(16)18)9-12-7-4-2-3-5-8(7)13-9/h2-6H,1H3,(H,12,13)(H,14,17)(H,15,18).
What are the key properties of 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione?
4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione has a molecular weight of 245.24 g/mol, XLogP of 0.35, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1H-benzimidazol-2-yl)ethyl]-1,2,4-triazolidine-3,5-dione is sourced from PubChem (CID 107409781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).