[4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

C10H16N4O — CID 57120809

IUPAC[4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESNCCc1cn(C(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C10H16N4O/c11-4-3-8-6-14(7-13-8)10(15)9-2-1-5-12-9/h6-7,9,12H,1-5,11H2/t9-/m0/s1
InChIKeyGESAJNCKKZOWSH-VIFPVBQESA-N
MW208.26 g/mol
LogP-0.22
Rot. Bonds3

About [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone

[4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (PubChem CID 57120809) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
PubChem CID57120809
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name[4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone
SMILESNCCc1cn(C(=O)[C@@H]2CCCN2)cn1
InChIInChI=1S/C10H16N4O/c11-4-3-8-6-14(7-13-8)10(15)9-2-1-5-12-9/h6-7,9,12H,1-5,11H2/t9-/m0/s1
InChIKeyGESAJNCKKZOWSH-VIFPVBQESA-N
XLogP-0.22
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The IUPAC name of [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone (CID 57120809) is [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone.
What is the SMILES notation for [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The canonical SMILES for [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is NCCc1cn(C(=O)[C@@H]2CCCN2)cn1.
What is the InChIKey of [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
The InChIKey is GESAJNCKKZOWSH-VIFPVBQESA-N. The full InChI is InChI=1S/C10H16N4O/c11-4-3-8-6-14(7-13-8)10(15)9-2-1-5-12-9/h6-7,9,12H,1-5,11H2/t9-/m0/s1.
What are the key properties of [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone?
[4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone has a molecular weight of 208.26 g/mol, XLogP of -0.22, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-aminoethyl)imidazol-1-yl]-[(2S)-pyrrolidin-2-yl]methanone is sourced from PubChem (CID 57120809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).