2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

C16H27N3O — CID 110198077

IUPAC2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(CC2CCN(C(=O)C(C)C)C2)n1C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)16(20)18-7-6-14(10-18)8-15-17-9-13(5)19(15)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3
InChIKeyYCHZVGMRMRLYIK-UHFFFAOYSA-N
MW277.41 g/mol
LogP2.82
Rot. Bonds4

About 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one

2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (PubChem CID 110198077) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.

Molecular Properties

Compound Name2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
PubChem CID110198077
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one
SMILESCc1cnc(CC2CCN(C(=O)C(C)C)C2)n1C(C)C
InChIInChI=1S/C16H27N3O/c1-11(2)16(20)18-7-6-14(10-18)8-15-17-9-13(5)19(15)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3
InChIKeyYCHZVGMRMRLYIK-UHFFFAOYSA-N
XLogP2.82
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one with MolForge

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Related Compounds

1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 188401
1-[4-(4-Methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065549
1-[4-(2,4-Dimethylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065552
5-Methyl-1-[4-(5-methylimidazol-1-yl)but-2-ynyl]pyrrolidin-2-one
CID 15065555
1-[5-(5-Methylimidazol-1-yl)pent-3-yn-2-yl]pyrrolidin-2-one
CID 15065585
1-[4-(3,5-Dimethylimidazol-3-ium-1-yl)but-2-ynyl]pyrrolidin-2-one iodide
CID 15065587
1-(3,7-Dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440495
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-3-methylbutan-1-one
CID 97440546
1-(7-Ethyl-3-methylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-yl)-2-methylpropan-1-one
CID 97440547
4-(2-Cyclopropyl-5-methyl-1H-imidazol-1-YL)-N,N-dimethylpiperidine-1-carboxamide
CID 110198117
N-[2-(1-cyclopentyl-5-methyl-1H-imidazol-2-yl)ethyl]acetamide
CID 110203798
N-[2-(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)ethyl]-2-methylpropanamide
CID 124048746

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The IUPAC name of 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one (CID 110198077) is 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one.
What is the SMILES notation for 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The canonical SMILES for 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is Cc1cnc(CC2CCN(C(=O)C(C)C)C2)n1C(C)C.
What is the InChIKey of 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
The InChIKey is YCHZVGMRMRLYIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11(2)16(20)18-7-6-14(10-18)8-15-17-9-13(5)19(15)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3.
What are the key properties of 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one?
2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one has a molecular weight of 277.41 g/mol, XLogP of 2.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]pyrrolidin-1-yl]propan-1-one is sourced from PubChem (CID 110198077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).