1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone

C12H19N3O — CID 118122053

IUPAC1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)CC1c1nc(C)c(C)[nH]1
InChIInChI=1S/C12H19N3O/c1-7-5-11(15(6-7)10(4)16)12-13-8(2)9(3)14-12/h7,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyOSESDFMMPZIGPA-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds1

About 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone

1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 118122053) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
PubChem CID118122053
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CC(C)CC1c1nc(C)c(C)[nH]1
InChIInChI=1S/C12H19N3O/c1-7-5-11(15(6-7)10(4)16)12-13-8(2)9(3)14-12/h7,11H,5-6H2,1-4H3,(H,13,14)
InChIKeyOSESDFMMPZIGPA-UHFFFAOYSA-N
XLogP1.96
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone (CID 118122053) is 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone is CC(=O)N1CC(C)CC1c1nc(C)c(C)[nH]1.
What is the InChIKey of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is OSESDFMMPZIGPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-7-5-11(15(6-7)10(4)16)12-13-8(2)9(3)14-12/h7,11H,5-6H2,1-4H3,(H,13,14).
What are the key properties of 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone has a molecular weight of 221.30 g/mol, XLogP of 1.96, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118122053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).