3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione

C12H12N4O2 — CID 63562926

IUPAC3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C12H12N4O2/c1-16-10(17)6-9(11(16)18)15-12-13-7-4-2-3-5-8(7)14-12/h2-5,9H,6H2,1H3,(H2,13,14,15)
InChIKeySEQZPCVDQQMJNM-UHFFFAOYSA-N
MW244.25 g/mol
LogP0.73
Rot. Bonds2

About 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione

3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione (PubChem CID 63562926) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
PubChem CID63562926
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione
SMILESCN1C(=O)CC(Nc2nc3ccccc3[nH]2)C1=O
InChIInChI=1S/C12H12N4O2/c1-16-10(17)6-9(11(16)18)15-12-13-7-4-2-3-5-8(7)14-12/h2-5,9H,6H2,1H3,(H2,13,14,15)
InChIKeySEQZPCVDQQMJNM-UHFFFAOYSA-N
XLogP0.73
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(1H-benzimidazol-2-ylamino)cyclohexan-1-one
CID 138676689
(4S)-4-(1H-benzimidazol-2-yl)-1-methylpyrrolidin-2-one
CID 40500171
3-(1H-benzimidazol-2-ylamino)-1-(1-methylpyrazol-3-yl)piperidin-2-one
CID 133410505
N-(1H-benzimidazol-2-yl)-1-methyl-2-oxopiperidine-4-carboxamide
CID 47154418
N-cyclooctyl-1H-benzimidazol-2-amine
CID 46784683
4-(1H-benzimidazol-2-ylamino)-N-methylcyclohexane-1-carboxamide
CID 18732356
N-(1H-benzimidazol-2-yl)-1-methyl-5-oxo-2-phenylpyrrolidine-3-carboxamide
CID 42652359
propan-2-yl 4-(1H-benzimidazol-2-ylamino)piperidine-1-carboxylate
CID 14751342
(3S)-N-(1H-benzimidazol-2-yl)-5-oxo-1-phenylpyrrolidine-3-carboxamide
CID 42234783
N-[(2S,3S)-2-(2-methylpyrazol-3-yl)oxolan-3-yl]-1H-benzimidazol-2-amine
CID 154744650
N-(1,2,3,4-tetrahydronaphthalen-2-yl)-1H-benzimidazol-2-amine
CID 25157552
N-(2-methylsulfanylcyclopentyl)-1H-benzimidazol-2-amine
CID 113341923

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The IUPAC name of 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione (CID 63562926) is 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The canonical SMILES for 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione is CN1C(=O)CC(Nc2nc3ccccc3[nH]2)C1=O.
What is the InChIKey of 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione?
The InChIKey is SEQZPCVDQQMJNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-16-10(17)6-9(11(16)18)15-12-13-7-4-2-3-5-8(7)14-12/h2-5,9H,6H2,1H3,(H2,13,14,15).
What are the key properties of 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione?
3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione has a molecular weight of 244.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylamino)-1-methylpyrrolidine-2,5-dione is sourced from PubChem (CID 63562926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).