2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide

C10H19IN4O — CID 120969418

IUPAC2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
SMILESCN1CCN=C1NCC(=O)N1CCCC1.I
InChIInChI=1S/C10H18N4O.HI/c1-13-7-4-11-10(13)12-8-9(15)14-5-2-3-6-14;/h2-8H2,1H3,(H,11,12);1H
InChIKeyKMZORYSLEISBSX-UHFFFAOYSA-N
MW338.19 g/mol
LogP0.12
Rot. Bonds2

About 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide

2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide (PubChem CID 120969418) has the molecular formula C10H19IN4O and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide.

Molecular Properties

Compound Name2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
PubChem CID120969418
Molecular FormulaC10H19IN4O
Molecular Weight338.19 g/mol
Exact Mass338.06
IUPAC Name2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
SMILESCN1CCN=C1NCC(=O)N1CCCC1.I
InChIInChI=1S/C10H18N4O.HI/c1-13-7-4-11-10(13)12-8-9(15)14-5-2-3-6-14;/h2-8H2,1H3,(H,11,12);1H
InChIKeyKMZORYSLEISBSX-UHFFFAOYSA-N
XLogP0.12
TPSA47.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 50.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

3-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]propanamide
CID 105434539
2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
CID 120969416
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
N-[[1-(dimethylamino)cyclobutyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120972304
2-[(5-methyl-2-pyridinyl)amino]-1-piperidin-1-ylethanone
CID 112696676
2-[(2-chloropyrimidin-4-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115695339
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
N-(cyclooctylmethyl)-1-methyl-4,5-dihydroimidazol-2-amine
CID 120970289
N-[[2-(azepan-1-ylmethyl)phenyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120971050
1-(2,6-dichlorophenyl)-2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]ethanol
CID 122082808
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
CID 115677837
4-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]butanenitrile
CID 130701760

Frequently Asked Questions

What is the IUPAC name of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
The IUPAC name of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide (CID 120969418) is 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide.
What is the SMILES notation for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
The canonical SMILES for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide is CN1CCN=C1NCC(=O)N1CCCC1.I.
What is the InChIKey of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
The InChIKey is KMZORYSLEISBSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.HI/c1-13-7-4-11-10(13)12-8-9(15)14-5-2-3-6-14;/h2-8H2,1H3,(H,11,12);1H.
What are the key properties of 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide has a molecular weight of 338.19 g/mol, XLogP of 0.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide is sourced from PubChem (CID 120969418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).