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

C16H26N4O — CID 110198067

IUPAC3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cnc(CC2CCN(C(=O)NC(C)C)C2)n1C1CC1
InChIInChI=1S/C16H26N4O/c1-11(2)18-16(21)19-7-6-13(10-19)8-15-17-9-12(3)20(15)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3,(H,18,21)
InChIKeyWDBRWALWYDGAKR-UHFFFAOYSA-N
MW290.41 g/mol
LogP2.51
Rot. Bonds4

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

3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide (PubChem CID 110198067) has the molecular formula C16H26N4O and a molecular weight of 290.41 g/mol. Its IUPAC name is 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide.

Molecular Properties

Compound Name3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
PubChem CID110198067
Molecular FormulaC16H26N4O
Molecular Weight290.41 g/mol
Exact Mass290.21
IUPAC Name3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide
SMILESCc1cnc(CC2CCN(C(=O)NC(C)C)C2)n1C1CC1
InChIInChI=1S/C16H26N4O/c1-11(2)18-16(21)19-7-6-13(10-19)8-15-17-9-12(3)20(15)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3,(H,18,21)
InChIKeyWDBRWALWYDGAKR-UHFFFAOYSA-N
XLogP2.51
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.41
LogP ≤ 52.51
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-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
4-[(2-cyclopropyl-5-methyl-1H-imidazol-1-yl)methyl]piperidine
CID 90488066
1-[3-[[1-(Cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]ethanone
CID 110198069
Cyclopropyl-[3-[[1-(cyclopropylmethyl)-5-methylimidazol-2-yl]methyl]pyrrolidin-1-yl]methanone
CID 124046107
1-[2-(1-Cyclooctyl-5-methylimidazol-2-yl)ethyl]-3-methylurea
CID 110203804

Frequently Asked Questions

What is the IUPAC name of 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The IUPAC name of 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide (CID 110198067) is 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide.
What is the SMILES notation for 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The canonical SMILES for 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide is Cc1cnc(CC2CCN(C(=O)NC(C)C)C2)n1C1CC1.
What is the InChIKey of 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
The InChIKey is WDBRWALWYDGAKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O/c1-11(2)18-16(21)19-7-6-13(10-19)8-15-17-9-12(3)20(15)14-4-5-14/h9,11,13-14H,4-8,10H2,1-3H3,(H,18,21).
What are the key properties of 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide?
3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide has a molecular weight of 290.41 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-cyclopropyl-5-methylimidazol-2-yl)methyl]-N-propan-2-ylpyrrolidine-1-carboxamide is sourced from PubChem (CID 110198067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).