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

C12H19N3O — CID 118122112

IUPAC1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](C)C[C@H]1c1nc(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)/t7-,11-/m0/s1
InChIKeyOSESDFMMPZIGPA-CPCISQLKSA-N
MW221.30 g/mol
LogP1.96
Rot. Bonds1

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

1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone (PubChem CID 118122112) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
PubChem CID118122112
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@@H](C)C[C@H]1c1nc(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)/t7-,11-/m0/s1
InChIKeyOSESDFMMPZIGPA-CPCISQLKSA-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

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

1-[2-(4,5-dimethyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-2-(2-methylcyclohexyl)ethanone
CID 136560403
4-(fluoromethyl)-5-methyl-2-(pyrrolidin-3-ylmethyl)-1H-imidazole
CID 84774516
N-[2-(4,5-dimethyl-2-piperidin-3-ylimidazol-1-yl)ethyl]acetamide
CID 66791491
methyl N-[(1S)-1-[(2S,4S)-2-(5-iodo-4-methyl-1H-imidazol-2-yl)-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 67209030
tert-butyl (2S,4S)-2-(5-iodo-4-methyl-1H-imidazol-2-yl)-4-methyl-pyrrolidine-1-carboxylate
CID 67209063
tert-butyl (2S)-2-(5-iodo-4-methyl-1H-imidazol-2-yl)-pyrrolidine-1-carboxylate
CID 67209069
(2S,4S)-2-(4-iodo-5-methyl-1H-imidazol-2-yl)-4-methylpyrrolidine-1-carboxylic acid
CID 67209082
methyl N-[(2S)-1-[(2S)-2-(4-iodo-5-methyl-1H-imidazol-2-yl)pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]carbamate
CID 67209125
4-iodo-5-methyl-2-[(2S,4S)-4-methylpyrrolidin-2-yl]-1H-imidazole
CID 67209171
5-methyl-4-[(2-oxo-4-propylpyrrolidin-1-yl)methyl]-1H-imidazole-2-carbonitrile
CID 71113075
tert-butyl 2-(4-iodo-5-methyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylate
CID 77241287
1-(2-methyl-4,6-dihydro-1H-pyrrolo[3,4-d]imidazol-5-yl)ethanone
CID 89583813

Frequently Asked Questions

What is the IUPAC name of 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone (CID 118122112) is 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone is CC(=O)N1C[C@@H](C)C[C@H]1c1nc(C)c(C)[nH]1.
What is the InChIKey of 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
The InChIKey is OSESDFMMPZIGPA-CPCISQLKSA-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)/t7-,11-/m0/s1.
What are the key properties of 1-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone?
1-[(2S,4S)-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-[(2S,4S)-2-(4,5-dimethyl-1H-imidazol-2-yl)-4-methylpyrrolidin-1-yl]ethanone is sourced from PubChem (CID 118122112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).