2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide

C9H14N4O — CID 104942020

IUPAC2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C9H14N4O/c10-9(14)5-13-6-11-4-8(13)7-2-1-3-12-7/h4,6-7,12H,1-3,5H2,(H2,10,14)/t7-/m0/s1
InChIKeyLQDSGGAIAKEZLD-ZETCQYMHSA-N
MW194.24 g/mol
LogP-0.21
Rot. Bonds3

About 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide

2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide (PubChem CID 104942020) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide.

Molecular Properties

Compound Name2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
PubChem CID104942020
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
SMILESNC(=O)Cn1cncc1[C@@H]1CCCN1
InChIInChI=1S/C9H14N4O/c10-9(14)5-13-6-11-4-8(13)7-2-1-3-12-7/h4,6-7,12H,1-3,5H2,(H2,10,14)/t7-/m0/s1
InChIKeyLQDSGGAIAKEZLD-ZETCQYMHSA-N
XLogP-0.21
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(5-piperidin-2-ylimidazol-1-yl)acetate
CID 114704303
1-piperidin-1-yl-2-(5-piperidin-2-ylimidazol-1-yl)ethanone
CID 114707098
1-ethyl-5-pyrrolidin-2-ylimidazole
CID 66134082
N-[2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]ethyl]acetamide
CID 104942233
2-[5-(azetidin-3-yl)imidazol-1-yl]acetamide
CID 114717394
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
CID 104943583
1-[(2-methylcyclopentyl)methyl]-5-pyrrolidin-2-ylimidazole
CID 107421507
1-(2-methylsulfonylethyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942355
1-(2-ethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943987
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
4-[[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]methyl]pyridine
CID 104942141
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
The IUPAC name of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide (CID 104942020) is 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide.
What is the SMILES notation for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
The canonical SMILES for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide is NC(=O)Cn1cncc1[C@@H]1CCCN1.
What is the InChIKey of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
The InChIKey is LQDSGGAIAKEZLD-ZETCQYMHSA-N. The full InChI is InChI=1S/C9H14N4O/c10-9(14)5-13-6-11-4-8(13)7-2-1-3-12-7/h4,6-7,12H,1-3,5H2,(H2,10,14)/t7-/m0/s1.
What are the key properties of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide?
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide has a molecular weight of 194.24 g/mol, XLogP of -0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide is sourced from PubChem (CID 104942020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).