2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone

C10H16N4O — CID 115608297

IUPAC2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCc1ncc[nH]1)N1CCCC1
InChIInChI=1S/C10H16N4O/c15-10(14-5-1-2-6-14)8-11-7-9-12-3-4-13-9/h3-4,11H,1-2,5-8H2,(H,12,13)
InChIKeyUFAGREDLQGONKS-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.12
Rot. Bonds4

About 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone

2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone (PubChem CID 115608297) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone.

Molecular Properties

Compound Name2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
PubChem CID115608297
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone
SMILESO=C(CNCc1ncc[nH]1)N1CCCC1
InChIInChI=1S/C10H16N4O/c15-10(14-5-1-2-6-14)8-11-7-9-12-3-4-13-9/h3-4,11H,1-2,5-8H2,(H,12,13)
InChIKeyUFAGREDLQGONKS-UHFFFAOYSA-N
XLogP0.12
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(azepan-1-yl)-N-(1H-imidazol-2-ylmethyl)propanamide
CID 71984266
2-(1,4-diazepan-1-yl)-N-(1H-imidazol-2-ylmethyl)-2-oxoacetamide
CID 64526128
1-piperidin-1-yl-2-(1,3-thiazol-4-ylmethylamino)ethanone
CID 115590354
(3R)-1-N-cyclopentyl-3-N-(1H-imidazol-2-ylmethyl)piperidine-1,3-dicarboxamide
CID 96568857
2-(ethylamino)-N-(1H-imidazol-2-ylmethyl)acetamide
CID 64529772
3-ethyl-N-(1H-imidazol-2-ylmethyl)-2-pyrrolidin-1-ylpentan-1-amine
CID 119110998
N-(1H-imidazol-2-ylmethyl)-2-(prop-2-ynylamino)acetamide
CID 79272188
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 106371910
1-(azepan-1-yl)-2-[(3-ethyl-2-pyridinyl)methylamino]ethanone
CID 82738475
1-pyrrolidin-1-yl-2-(1,3-thiazol-5-ylmethylamino)ethanone
CID 115732052
N-(1H-imidazol-2-ylmethyl)-4-methylpiperidine-1-carboxamide
CID 79163270
2-[(2-ethylpyrazol-3-yl)methylamino]-1-pyrrolidin-1-ylethanone
CID 115761675

Frequently Asked Questions

What is the IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
The IUPAC name of 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone (CID 115608297) is 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone.
What is the SMILES notation for 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
The canonical SMILES for 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone is O=C(CNCc1ncc[nH]1)N1CCCC1.
What is the InChIKey of 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
The InChIKey is UFAGREDLQGONKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c15-10(14-5-1-2-6-14)8-11-7-9-12-3-4-13-9/h3-4,11H,1-2,5-8H2,(H,12,13).
What are the key properties of 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone?
2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone has a molecular weight of 208.26 g/mol, XLogP of 0.12, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-imidazol-2-ylmethylamino)-1-pyrrolidin-1-ylethanone is sourced from PubChem (CID 115608297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).