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

C4H7Cl2N3OZn — CID 137321690

IUPACdichlorozinc;2-imino-1-methylimidazolidin-4-one
SMILESCl[Zn]Cl.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2
InChIKeyFSTJUYRQYIWLSX-UHFFFAOYSA-L
MW249.42 g/mol
LogP0.36
Rot. Bonds

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

dichlorozinc;2-imino-1-methylimidazolidin-4-one (PubChem CID 137321690) has the molecular formula C4H7Cl2N3OZn and a molecular weight of 249.42 g/mol. Its IUPAC name is dichlorozinc;2-imino-1-methylimidazolidin-4-one.

Molecular Properties

Compound Namedichlorozinc;2-imino-1-methylimidazolidin-4-one
PubChem CID137321690
Molecular FormulaC4H7Cl2N3OZn
Molecular Weight249.42 g/mol
Exact Mass246.93
IUPAC Namedichlorozinc;2-imino-1-methylimidazolidin-4-one
SMILESCl[Zn]Cl.[H]/N=C1/NC(=O)CN1C
InChIInChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2
InChIKeyFSTJUYRQYIWLSX-UHFFFAOYSA-L
XLogP0.36
TPSA56.19 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.42
LogP ≤ 50.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-Imino-1-methyl-4-imidazolidinone
CID 137319715
Bis(2-amino-1,5-dihydro-1-methyl-4H-imidazol-4-one-O)dichlorozinc
CID 137321852
zinc(2+) 2-amino-1-methyl-4,5-dihydro-1H-imidazol-4-one dichloride
CID 139267838
2-Amino-1-methyl-1H-imidazol-4(5H)-one hydrochloride
CID 137321695
ZINC;bis(2-imino-1-methylimidazolidin-4-one);dichloride
CID 137321784
2-Amino-1-(~13~C)methyl-1,5-dihydro-4H-imidazol-4-one
CID 153274188
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
2-Amino-1-ethyl-1,5-dihydro-4H-imidazol-4-one
CID 137321843
3-Deuterio-1-(1-deuterioethyl)-2-deuterioiminoimidazolidin-4-one
CID 91570612
Amino creatinine
CID 154731276

Frequently Asked Questions

What is the IUPAC name of dichlorozinc;2-imino-1-methylimidazolidin-4-one?
The IUPAC name of dichlorozinc;2-imino-1-methylimidazolidin-4-one (CID 137321690) is dichlorozinc;2-imino-1-methylimidazolidin-4-one.
What is the SMILES notation for dichlorozinc;2-imino-1-methylimidazolidin-4-one?
The canonical SMILES for dichlorozinc;2-imino-1-methylimidazolidin-4-one is Cl[Zn]Cl.[H]/N=C1/NC(=O)CN1C.
What is the InChIKey of dichlorozinc;2-imino-1-methylimidazolidin-4-one?
The InChIKey is FSTJUYRQYIWLSX-UHFFFAOYSA-L. The full InChI is InChI=1S/C4H7N3O.2ClH.Zn/c1-7-2-3(8)6-4(7)5;;;/h2H2,1H3,(H2,5,6,8);2*1H;/q;;;+2/p-2.
What are the key properties of dichlorozinc;2-imino-1-methylimidazolidin-4-one?
dichlorozinc;2-imino-1-methylimidazolidin-4-one has a molecular weight of 249.42 g/mol, XLogP of 0.36, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dichlorozinc;2-imino-1-methylimidazolidin-4-one is sourced from PubChem (CID 137321690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).