3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione

C16H25N3O2 — CID 75484140

IUPAC3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1nccn1CCCCN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C16H25N3O2/c1-12(2)16(4)11-14(20)19(15(16)21)9-6-5-8-18-10-7-17-13(18)3/h7,10,12H,5-6,8-9,11H2,1-4H3
InChIKeyMJKGARSFLISKOT-UHFFFAOYSA-N
MW291.39 g/mol
LogP2.39
Rot. Bonds6

About 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione

3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione (PubChem CID 75484140) has the molecular formula C16H25N3O2 and a molecular weight of 291.39 g/mol. Its IUPAC name is 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione
PubChem CID75484140
Molecular FormulaC16H25N3O2
Molecular Weight291.39 g/mol
Exact Mass291.19
IUPAC Name3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione
SMILESCc1nccn1CCCCN1C(=O)CC(C)(C(C)C)C1=O
InChIInChI=1S/C16H25N3O2/c1-12(2)16(4)11-14(20)19(15(16)21)9-6-5-8-18-10-7-17-13(18)3/h7,10,12H,5-6,8-9,11H2,1-4H3
InChIKeyMJKGARSFLISKOT-UHFFFAOYSA-N
XLogP2.39
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.39
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-methyl-1-(5-methylhexyl)imidazole
CID 166170762
2-methyl-1-(4-methylpentyl)imidazole
CID 20811797
5-methyl-3-[4-(2-methylimidazol-1-yl)butyl]-5-(4-methylsulfonylphenyl)imidazolidine-2,4-dione
CID 75431270
2-methyl-1-(6-methylheptyl)imidazole
CID 176869626
5-(2-methylimidazol-1-yl)-N-propan-2-ylpentanamide
CID 54508862
1-methyl-2-[2-(2-methylimidazol-1-yl)ethyl]imidazole
CID 114531881
bis(1-decyl-2-methylimidazole);dihydrochloride
CID 173324377
2-methyl-1-octylimidazole;hydrate
CID 174602652
1-(16-fluorohexadecyl)-2-methylimidazole
CID 164834559
7-(2-methylimidazol-1-yl)heptanoic acid
CID 12870527
fluoroform;1-hexyl-2-methylimidazole
CID 174860235
3,3-dimethyl-1-[2-(2-methylimidazol-1-yl)ethyl]-6-propan-2-ylpiperazine-2,5-dione
CID 64901017

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The IUPAC name of 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione (CID 75484140) is 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione.
What is the SMILES notation for 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The canonical SMILES for 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione is Cc1nccn1CCCCN1C(=O)CC(C)(C(C)C)C1=O.
What is the InChIKey of 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione?
The InChIKey is MJKGARSFLISKOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O2/c1-12(2)16(4)11-14(20)19(15(16)21)9-6-5-8-18-10-7-17-13(18)3/h7,10,12H,5-6,8-9,11H2,1-4H3.
What are the key properties of 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione?
3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione has a molecular weight of 291.39 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-[4-(2-methylimidazol-1-yl)butyl]-3-propan-2-ylpyrrolidine-2,5-dione is sourced from PubChem (CID 75484140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).