(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione

C14H16N4O2 — CID 789736

IUPAC(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1nc2ccccc2n1[C@@H]1CC(=O)N(N(C)C)C1=O
InChIInChI=1S/C14H16N4O2/c1-9-15-10-6-4-5-7-11(10)17(9)12-8-13(19)18(14(12)20)16(2)3/h4-7,12H,8H2,1-3H3/t12-/m1/s1
InChIKeyATBRJEQNTZWUKN-GFCCVEGCSA-N
MW272.31 g/mol
LogP1.12
Rot. Bonds2

About (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione

(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione (PubChem CID 789736) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione.

Molecular Properties

Compound Name(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
PubChem CID789736
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
SMILESCc1nc2ccccc2n1[C@@H]1CC(=O)N(N(C)C)C1=O
InChIInChI=1S/C14H16N4O2/c1-9-15-10-6-4-5-7-11(10)17(9)12-8-13(19)18(14(12)20)16(2)3/h4-7,12H,8H2,1-3H3/t12-/m1/s1
InChIKeyATBRJEQNTZWUKN-GFCCVEGCSA-N
XLogP1.12
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-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

(3S)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 789733
3-(2-methylbenzimidazol-1-yl)azepan-2-one
CID 113221527
1-phenyl-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 134120909
3-(2-methylbenzimidazol-1-yl)thietane 1,1-dioxide
CID 139266953
1-(4-chlorophenyl)-3-(2-propan-2-ylbenzimidazol-1-yl)pyrrolidine-2,5-dione
CID 2806877
1-[(1R,2R)-2-fluorocyclopentyl]-2-methylbenzimidazole
CID 126847861
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-methoxyphenyl)pyrrolidine-2,5-dione
CID 1288349
2-methyl-4-phenyl-3,4-dihydropyrimido[1,2-a]benzimidazole
CID 15111818
2-methyl-1-[(3S)-pyrrolidin-3-yl]benzimidazole;hydrochloride
CID 162422976
2-methyl-1-[1-(1-phenylethyl)azetidin-3-yl]benzimidazole
CID 139028174
(3R)-3-[2-(hydroxymethyl)benzimidazol-1-yl]-1-(4-propoxyphenyl)pyrrolidine-2,5-dione
CID 51577611
2-methyl-N-phenylbenzimidazol-1-amine
CID 15532784

Frequently Asked Questions

What is the IUPAC name of (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The IUPAC name of (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione (CID 789736) is (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione.
What is the SMILES notation for (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The canonical SMILES for (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione is Cc1nc2ccccc2n1[C@@H]1CC(=O)N(N(C)C)C1=O.
What is the InChIKey of (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
The InChIKey is ATBRJEQNTZWUKN-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-9-15-10-6-4-5-7-11(10)17(9)12-8-13(19)18(14(12)20)16(2)3/h4-7,12H,8H2,1-3H3/t12-/m1/s1.
What are the key properties of (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione?
(3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione has a molecular weight of 272.31 g/mol, XLogP of 1.12, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-(dimethylamino)-3-(2-methylbenzimidazol-1-yl)pyrrolidine-2,5-dione is sourced from PubChem (CID 789736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).