2-imino-1-methylimidazolidin-4-one;hydrochloride

C4H8ClN3O — CID 137321695

IUPAC2-imino-1-methylimidazolidin-4-one;hydrochloride
SMILESCl.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H
InChIKeyPJYONPGZTHDDJM-UHFFFAOYSA-N
MW149.58 g/mol
LogP-0.60
Rot. Bonds

About 2-imino-1-methylimidazolidin-4-one;hydrochloride

2-imino-1-methylimidazolidin-4-one;hydrochloride (PubChem CID 137321695) has the molecular formula C4H8ClN3O and a molecular weight of 149.58 g/mol. Its IUPAC name is 2-imino-1-methylimidazolidin-4-one;hydrochloride.

Molecular Properties

Compound Name2-imino-1-methylimidazolidin-4-one;hydrochloride
PubChem CID137321695
Molecular FormulaC4H8ClN3O
Molecular Weight149.58 g/mol
Exact Mass149.04
IUPAC Name2-imino-1-methylimidazolidin-4-one;hydrochloride
SMILESCl.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H
InChIKeyPJYONPGZTHDDJM-UHFFFAOYSA-N
XLogP-0.60
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.58
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

2-Imino-1-methyl-4-imidazolidinone
CID 137319715
N-(1-methyl-4-oxo-2-imidazolin-2-yl)acetamide
CID 736895
2-Amino-1-(~13~C)methyl-1,5-dihydro-4H-imidazol-4-one
CID 153274188
Creatinine ZINC chloride
CID 137321690
Imidazolidine, 3-methyl-2-methylimino-4-oxo-
CID 136056903
2-Amino-1-methyl-4-oxo-4,5-dihydro-1H-imidazol-3-ium chloride
CID 139084097
zinc(2+) 2-amino-1-methyl-4,5-dihydro-1H-imidazol-4-one dichloride
CID 139267838
ZINC;bis(2-imino-1-methylimidazolidin-4-one);dichloride
CID 137321784
Bis(2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one-O)dichlorozinc
CID 137321852
2-Imino-1,3-dimethylimidazolidin-4-one
CID 14060427
3-Deuterio-2-deuterioimino-1-(deuteriomethyl)imidazolidin-4-one
CID 89612900
2-Chloroimino-1-methylimidazolidin-4-one
CID 136683013

Frequently Asked Questions

What is the IUPAC name of 2-imino-1-methylimidazolidin-4-one;hydrochloride?
The IUPAC name of 2-imino-1-methylimidazolidin-4-one;hydrochloride (CID 137321695) is 2-imino-1-methylimidazolidin-4-one;hydrochloride.
What is the SMILES notation for 2-imino-1-methylimidazolidin-4-one;hydrochloride?
The canonical SMILES for 2-imino-1-methylimidazolidin-4-one;hydrochloride is Cl.[H]/N=C1/NC(=O)CN1C.
What is the InChIKey of 2-imino-1-methylimidazolidin-4-one;hydrochloride?
The InChIKey is PJYONPGZTHDDJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N3O.ClH/c1-7-2-3(8)6-4(7)5;/h2H2,1H3,(H2,5,6,8);1H.
What are the key properties of 2-imino-1-methylimidazolidin-4-one;hydrochloride?
2-imino-1-methylimidazolidin-4-one;hydrochloride has a molecular weight of 149.58 g/mol, XLogP of -0.60, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imino-1-methylimidazolidin-4-one;hydrochloride is sourced from PubChem (CID 137321695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).