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

C10H19IN4O — CID 120969416

IUPAC2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
SMILESCC1CN=C(NCC(=O)N2CCCC2)N1.I
InChIInChI=1S/C10H18N4O.HI/c1-8-6-11-10(13-8)12-7-9(15)14-4-2-3-5-14;/h8H,2-7H2,1H3,(H2,11,12,13);1H
InChIKeyFDAQEWUPKAGELK-UHFFFAOYSA-N
MW338.19 g/mol
LogP0.16
Rot. Bonds2

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

2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide (PubChem CID 120969416) has the molecular formula C10H19IN4O and a molecular weight of 338.19 g/mol. Its IUPAC name is 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide.

Molecular Properties

Compound Name2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
PubChem CID120969416
Molecular FormulaC10H19IN4O
Molecular Weight338.19 g/mol
Exact Mass338.06
IUPAC Name2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
SMILESCC1CN=C(NCC(=O)N2CCCC2)N1.I
InChIInChI=1S/C10H18N4O.HI/c1-8-6-11-10(13-8)12-7-9(15)14-4-2-3-5-14;/h8H,2-7H2,1H3,(H2,11,12,13);1H
InChIKeyFDAQEWUPKAGELK-UHFFFAOYSA-N
XLogP0.16
TPSA56.73 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.19
LogP ≤ 50.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[(1-methyl-4,5-dihydroimidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide
CID 120969418
(5-methyl-4,5-dihydro-1H-imidazol-2-yl)hydrazine;hydroiodide
CID 21417143
2-[4-(4-methylpiperidine-1-carbonyl)anilino]-1-piperidin-1-ylethanone
CID 54831366
1-(4-methylpiperidin-1-yl)-3-pyrrolidin-1-ylpropane-1,3-dione
CID 108941930
2-[(5-methoxypyrimidin-2-yl)amino]-1-piperidin-1-ylethanone
CID 114600755
2-(2,3,4,5,6-pentafluoroanilino)-1-pyrrolidin-1-ylethanone
CID 115279721
2-[[2-(azocan-1-yl)-2-oxoethyl]amino]-N-cyclopropylbenzamide
CID 51260492
2-[(5-methyl-1,2-oxazol-3-yl)amino]-1-piperidin-1-ylethanone
CID 108993555
2-[(4,6-dimethoxy-1,3,5-triazin-2-yl)amino]-1-piperidin-1-ylethanone
CID 115677837
4-methyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-1-carboxamide
CID 115583845
1-acetyl-N-(2-oxo-2-piperidin-1-ylethyl)piperidine-4-carboxamide
CID 110741930
2-[(4-methyl-1,3-thiazol-2-yl)amino]-1-pyrrolidin-1-ylethanone
CID 115577665

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
The IUPAC name of 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide (CID 120969416) is 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide.
What is the SMILES notation for 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
The canonical SMILES for 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide is CC1CN=C(NCC(=O)N2CCCC2)N1.I.
What is the InChIKey of 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
The InChIKey is FDAQEWUPKAGELK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4O.HI/c1-8-6-11-10(13-8)12-7-9(15)14-4-2-3-5-14;/h8H,2-7H2,1H3,(H2,11,12,13);1H.
What are the key properties of 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide?
2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide has a molecular weight of 338.19 g/mol, XLogP of 0.16, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-4,5-dihydro-1H-imidazol-2-yl)amino]-1-pyrrolidin-1-ylethanone;hydroiodide is sourced from PubChem (CID 120969416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).