2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide

C17H28N4O2 — CID 110127449

IUPAC2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C17H28N4O2/c1-3-15-18-8-11-21(15)12-16(22)19(2)13-6-7-14(17(13)23)20-9-4-5-10-20/h8,11,13-14,17,23H,3-7,9-10,12H2,1-2H3/t13-,14-,17-/m1/s1
InChIKeyDBKUQEIUQBUXBP-CKEIUWERSA-N
MW320.44 g/mol
LogP0.89
Rot. Bonds5

About 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide

2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide (PubChem CID 110127449) has the molecular formula C17H28N4O2 and a molecular weight of 320.44 g/mol. Its IUPAC name is 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
PubChem CID110127449
Molecular FormulaC17H28N4O2
Molecular Weight320.44 g/mol
Exact Mass320.22
IUPAC Name2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
SMILESCCc1nccn1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O
InChIInChI=1S/C17H28N4O2/c1-3-15-18-8-11-21(15)12-16(22)19(2)13-6-7-14(17(13)23)20-9-4-5-10-20/h8,11,13-14,17,23H,3-7,9-10,12H2,1-2H3/t13-,14-,17-/m1/s1
InChIKeyDBKUQEIUQBUXBP-CKEIUWERSA-N
XLogP0.89
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.44
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclopentyl-2-(2-ethylimidazol-1-yl)ethanone
CID 115769665
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-3-imidazol-1-yl-N-methylpropanamide
CID 110127432
2-(2-fluorophenoxy)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide
CID 110127437
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methyl-2-(2-methylphenyl)acetamide
CID 110127428
N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclohexyl]-N-methyl-3-(2-methylpyrazol-3-yl)propanamide
CID 110128017
2-(2-ethylimidazol-1-yl)-N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]acetamide
CID 133265861
cyclohexyl-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]methanone
CID 90492732
3-(2-ethylimidazol-1-yl)-1-[(3R)-3-piperidin-1-ylpyrrolidin-1-yl]propan-1-one
CID 99974237
1-(cyclopropylmethyl)-2-ethylimidazole
CID 63811309
N-[(3R,4S,5R)-4,5-dihydroxyoxan-3-yl]-2-(2-ethylimidazol-1-yl)acetamide
CID 155982619
N-cyclohexyl-2-[4-[(2-ethylimidazol-1-yl)methyl]piperidin-1-yl]acetamide
CID 90493994
1-amino-2-[2-(2-ethylimidazol-1-yl)ethyl]cyclopentane-1-carboxylic acid
CID 79571562

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
The IUPAC name of 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide (CID 110127449) is 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
The canonical SMILES for 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide is CCc1nccn1CC(=O)N(C)[C@@H]1CC[C@@H](N2CCCC2)[C@@H]1O.
What is the InChIKey of 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
The InChIKey is DBKUQEIUQBUXBP-CKEIUWERSA-N. The full InChI is InChI=1S/C17H28N4O2/c1-3-15-18-8-11-21(15)12-16(22)19(2)13-6-7-14(17(13)23)20-9-4-5-10-20/h8,11,13-14,17,23H,3-7,9-10,12H2,1-2H3/t13-,14-,17-/m1/s1.
What are the key properties of 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide?
2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide has a molecular weight of 320.44 g/mol, XLogP of 0.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylimidazol-1-yl)-N-[(1R,2S,3R)-2-hydroxy-3-pyrrolidin-1-ylcyclopentyl]-N-methylacetamide is sourced from PubChem (CID 110127449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).