1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one

C13H22N4O — CID 114165352

IUPAC1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one
SMILESCC(C)CNCc1cncn1C1CCN(C)C1=O
InChIInChI=1S/C13H22N4O/c1-10(2)6-14-7-11-8-15-9-17(11)12-4-5-16(3)13(12)18/h8-10,12,14H,4-7H2,1-3H3
InChIKeyUVLLZORNCXYCNK-UHFFFAOYSA-N
MW250.35 g/mol
LogP1.03
Rot. Bonds5

About 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one

1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one (PubChem CID 114165352) has the molecular formula C13H22N4O and a molecular weight of 250.35 g/mol. Its IUPAC name is 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one
PubChem CID114165352
Molecular FormulaC13H22N4O
Molecular Weight250.35 g/mol
Exact Mass250.18
IUPAC Name1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one
SMILESCC(C)CNCc1cncn1C1CCN(C)C1=O
InChIInChI=1S/C13H22N4O/c1-10(2)6-14-7-11-8-15-9-17(11)12-4-5-16(3)13(12)18/h8-10,12,14H,4-7H2,1-3H3
InChIKeyUVLLZORNCXYCNK-UHFFFAOYSA-N
XLogP1.03
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.35
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one 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

N-[(3-cycloheptylimidazol-4-yl)methyl]-2-methylpropan-1-amine
CID 66147142
N-[[3-(2,3-dimethylcyclopentyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66150600
2-methyl-N-[[3-(2-methylcycloheptyl)imidazol-4-yl]methyl]propan-1-amine
CID 66151641
2-methyl-N-[[3-(3,3,5,5-tetramethylcyclohexyl)imidazol-4-yl]methyl]propan-1-amine
CID 103968580
N-[(3-cyclopropylimidazol-4-yl)methyl]-2,3-dimethylbutan-1-amine
CID 66140601
3-[5-[(1R)-1-aminopropyl]imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 106259446
N-[2-(3-cyclopropylimidazol-4-yl)ethyl]-2-methylpropan-1-amine
CID 66140393
N-[[3-(cyclohexylmethyl)imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 66147974
3-[5-[(cyclopropylamino)methyl]imidazol-1-yl]-1-methylpiperidine-2,6-dione
CID 66150184
2-methyl-N-[[3-[2-(oxolan-3-yl)ethyl]imidazol-4-yl]methyl]propan-1-amine
CID 114129923
2-methyl-N-[[3-[(4-methylmorpholin-2-yl)methyl]imidazol-4-yl]methyl]propan-1-amine
CID 79077837
N-[[3-[(1,4-dimethylpiperidin-4-yl)methyl]imidazol-4-yl]methyl]-2-methylpropan-1-amine
CID 107165435

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one?
The IUPAC name of 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one (CID 114165352) is 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one.
What is the SMILES notation for 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one?
The canonical SMILES for 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one is CC(C)CNCc1cncn1C1CCN(C)C1=O.
What is the InChIKey of 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one?
The InChIKey is UVLLZORNCXYCNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O/c1-10(2)6-14-7-11-8-15-9-17(11)12-4-5-16(3)13(12)18/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one?
1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one has a molecular weight of 250.35 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[5-[(2-methylpropylamino)methyl]imidazol-1-yl]pyrrolidin-2-one is sourced from PubChem (CID 114165352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).