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

C10H16N4O — CID 104943583

IUPAC2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O/c1-7(10(11)15)14-6-12-5-9(14)8-3-2-4-13-8/h5-8,13H,2-4H2,1H3,(H2,11,15)/t7?,8-/m0/s1
InChIKeyRCHVDYVSXHAHHS-MQWKRIRWSA-N
MW208.26 g/mol
LogP0.35
Rot. Bonds3

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

2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide (PubChem CID 104943583) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide.

Molecular Properties

Compound Name2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
PubChem CID104943583
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide
SMILESCC(C(N)=O)n1cncc1[C@@H]1CCCN1
InChIInChI=1S/C10H16N4O/c1-7(10(11)15)14-6-12-5-9(14)8-3-2-4-13-8/h5-8,13H,2-4H2,1H3,(H2,11,15)/t7?,8-/m0/s1
InChIKeyRCHVDYVSXHAHHS-MQWKRIRWSA-N
XLogP0.35
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-piperidin-1-yl-2-(5-pyrrolidin-2-ylimidazol-1-yl)propan-1-one
CID 114707108
methyl 3-methyl-2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]butanoate
CID 104942728
2-(5-pyrrolidin-3-ylimidazol-1-yl)propanamide
CID 114721725
1-(1-methylsulfinylpropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943720
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]acetamide
CID 104942020
1-(1-methoxypropan-2-yl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104941707
1-hexan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705557
1-heptan-2-yl-5-pyrrolidin-2-ylimidazole
CID 114705341
1-(2,3-dimethylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104943295
1-(3-methyl-2-propan-2-ylbutyl)-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 102909128
1-(1-methoxy-3-methylbutan-2-yl)-5-pyrrolidin-2-ylimidazole
CID 114706396
1-[1-(5-methylfuran-2-yl)ethyl]-5-[(2S)-pyrrolidin-2-yl]imidazole
CID 104942506

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide?
The IUPAC name of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide (CID 104943583) is 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide.
What is the SMILES notation for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide?
The canonical SMILES for 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide is CC(C(N)=O)n1cncc1[C@@H]1CCCN1.
What is the InChIKey of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide?
The InChIKey is RCHVDYVSXHAHHS-MQWKRIRWSA-N. The full InChI is InChI=1S/C10H16N4O/c1-7(10(11)15)14-6-12-5-9(14)8-3-2-4-13-8/h5-8,13H,2-4H2,1H3,(H2,11,15)/t7?,8-/m0/s1.
What are the key properties of 2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide?
2-[5-[(2S)-pyrrolidin-2-yl]imidazol-1-yl]propanamide has a molecular weight of 208.26 g/mol, XLogP of 0.35, 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]propanamide is sourced from PubChem (CID 104943583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).