3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide

C16H28N4O — CID 110198081

IUPAC3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cnc(CC2CCN(C(=O)NC(C)C)C2)n1C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)18-16(21)19-7-6-14(10-19)8-15-17-9-13(5)20(15)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,18,21)
InChIKeyOVNNXTWQAFIWDL-UHFFFAOYSA-N
MW292.43 g/mol
LogP2.75
Rot. Bonds4

About 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide

3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 110198081) has the molecular formula C16H28N4O and a molecular weight of 292.43 g/mol. Its IUPAC name is 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID110198081
Molecular FormulaC16H28N4O
Molecular Weight292.43 g/mol
Exact Mass292.23
IUPAC Name3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cnc(CC2CCN(C(=O)NC(C)C)C2)n1C(C)C
InChIInChI=1S/C16H28N4O/c1-11(2)18-16(21)19-7-6-14(10-19)8-15-17-9-13(5)20(15)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,18,21)
InChIKeyOVNNXTWQAFIWDL-UHFFFAOYSA-N
XLogP2.75
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.43
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[4-(5-Methylimidazol-1-yl)but-2-ynyl]imidazolidin-2-one
CID 15065576
N-[2-(1-isopropyl-5-methyl-1H-imidazol-2-yl)ethyl]-N'-propylurea
CID 91923975
7-ethyl-N,3-dimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97407000
N,3,7-trimethylspiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97440498
N-cyclopentyl-3-[(dimethylamino)methyl]-5,6,8,9-tetrahydroimidazo[1,2-d][1,4]diazepine-7-carboxamide
CID 97466967
N-cyclopentyl-3-[[methyl(propan-2-yl)amino]methyl]-6,8-dihydro-5H-imidazo[1,2-a]pyrazine-7-carboxamide
CID 97471138
7-ethyl-3-methyl-N-(2-methylpropyl)spiro[5,6-dihydroimidazo[1,2-a]pyrazine-8,4'-piperidine]-1'-carboxamide
CID 97523269
3-cyclopropyl-N-propan-2-ylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxamide
CID 97523394
3-cyclopropyl-N-ethylspiro[5,6-dihydropyrrolo[1,2-a]imidazole-7,4'-piperidine]-1'-carboxamide
CID 97523395
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 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 110198081) is 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide is Cc1cnc(CC2CCN(C(=O)NC(C)C)C2)n1C(C)C.
What is the InChIKey of 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is OVNNXTWQAFIWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4O/c1-11(2)18-16(21)19-7-6-14(10-19)8-15-17-9-13(5)20(15)12(3)4/h9,11-12,14H,6-8,10H2,1-5H3,(H,18,21).
What are the key properties of 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 292.43 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1-propan-2-ylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110198081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).