1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione

C16H19N3O2 — CID 115281556

IUPAC1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Cc2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C16H19N3O2/c1-3-16(4-2)9-14(20)19(15(16)21)10-13-17-11-7-5-6-8-12(11)18-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyOUCHFLDGPKSBQR-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.63
Rot. Bonds4

About 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione

1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione (PubChem CID 115281556) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione
PubChem CID115281556
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione
SMILESCCC1(CC)CC(=O)N(Cc2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C16H19N3O2/c1-3-16(4-2)9-14(20)19(15(16)21)10-13-17-11-7-5-6-8-12(11)18-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,18)
InChIKeyOUCHFLDGPKSBQR-UHFFFAOYSA-N
XLogP2.63
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.63
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

2-(1H-benzimidazol-2-ylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392748
bis(2-ethyl-1H-benzimidazole);sulfane
CID 68768079
2-[(4-ethyl-1,4-diazepan-1-yl)methyl]-1H-benzimidazole
CID 142265346
1-[2-(1H-benzimidazol-2-yl)ethyl]-4-ethenylpyrrolidin-2-one
CID 168685350
3,3-diethyl-1-[(3-hydroxyphenyl)methyl]pyrrolidine-2,5-dione
CID 54904300
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303
S-[[1-(1H-benzimidazol-2-ylmethyl)-5-oxopyrrolidin-3-yl]methyl] ethanethioate
CID 168667859
(4S)-8-(1H-benzimidazol-2-ylmethyl)-2-oxo-1,8-diazaspiro[4.5]decane-4-carboxylic acid
CID 124846890
2-[(2-phenylpyrrolidin-1-yl)methyl]-1H-benzimidazole
CID 175651550
3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 23734588
1-(1H-benzimidazol-2-ylmethyl)-3-[bromo(triphenyl)-λ5-phosphanyl]pyrrolidin-2-one
CID 140976509
1-(1H-benzimidazol-2-yl)-N-methylmethanamine;dihydrochloride
CID 13169407

Frequently Asked Questions

What is the IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione?
The IUPAC name of 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione (CID 115281556) is 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione is CCC1(CC)CC(=O)N(Cc2nc3ccccc3[nH]2)C1=O.
What is the InChIKey of 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione?
The InChIKey is OUCHFLDGPKSBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-3-16(4-2)9-14(20)19(15(16)21)10-13-17-11-7-5-6-8-12(11)18-13/h5-8H,3-4,9-10H2,1-2H3,(H,17,18).
What are the key properties of 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione?
1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione has a molecular weight of 285.35 g/mol, XLogP of 2.63, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-benzimidazol-2-ylmethyl)-3,3-diethylpyrrolidine-2,5-dione is sourced from PubChem (CID 115281556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).