3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride

C6H10ClN3O2 — CID 82403074

IUPAC3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride
SMILESCc1cn(C(=O)CN)c(=O)[nH]1.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-4-3-9(5(10)2-7)6(11)8-4;/h3H,2,7H2,1H3,(H,8,11);1H
InChIKeyCQYBLATUJYHYAL-UHFFFAOYSA-N
MW191.62 g/mol
LogP-0.49
Rot. Bonds1

About 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride

3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride (PubChem CID 82403074) has the molecular formula C6H10ClN3O2 and a molecular weight of 191.62 g/mol. Its IUPAC name is 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride.

Molecular Properties

Compound Name3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride
PubChem CID82403074
Molecular FormulaC6H10ClN3O2
Molecular Weight191.62 g/mol
Exact Mass191.05
IUPAC Name3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride
SMILESCc1cn(C(=O)CN)c(=O)[nH]1.Cl
InChIInChI=1S/C6H9N3O2.ClH/c1-4-3-9(5(10)2-7)6(11)8-4;/h3H,2,7H2,1H3,(H,8,11);1H
InChIKeyCQYBLATUJYHYAL-UHFFFAOYSA-N
XLogP-0.49
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.62
LogP ≤ 5-0.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(4-Methyl-2-oxo-1,3-dihydroimidazol-1-yl)acetamide
CID 19350748
2-(3,4-Dimethyl-2-oxoimidazol-1-yl)acetamide
CID 19350750
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetamide;hydrochloride
CID 82403072
2-(4-methyl-2-oxo-1H-imidazol-3-yl)acetamide
CID 82403073
3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one
CID 82403075
3-acetyl-5-methyl-1H-imidazol-2-one
CID 101123144
N-(2-aminoethyl)-N-(prop-1-en-2-ylcarbamoyl)acetamide
CID 108910384
N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]acetamide
CID 133619905
2-amino-N-[(2-oxo-1,3-dihydroimidazol-4-yl)methyl]acetamide
CID 133625615

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride?
The IUPAC name of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride (CID 82403074) is 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride.
What is the SMILES notation for 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride?
The canonical SMILES for 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride is Cc1cn(C(=O)CN)c(=O)[nH]1.Cl.
What is the InChIKey of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride?
The InChIKey is CQYBLATUJYHYAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O2.ClH/c1-4-3-9(5(10)2-7)6(11)8-4;/h3H,2,7H2,1H3,(H,8,11);1H.
What are the key properties of 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride?
3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride has a molecular weight of 191.62 g/mol, XLogP of -0.49, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoacetyl)-5-methyl-1H-imidazol-2-one;hydrochloride is sourced from PubChem (CID 82403074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).