4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide

C6H13BrN4O — CID 20572681

IUPAC4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N)N1C(=O)NC(C)C1C
InChIInChI=1S/C6H12N4O.BrH/c1-3-4(2)10(5(7)8)6(11)9-3;/h3-4H,1-2H3,(H3,7,8)(H,9,11);1H
InChIKeyXZKSCXYXEBISBF-UHFFFAOYSA-N
MW237.10 g/mol
LogP0.26
Rot. Bonds

About 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide

4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide (PubChem CID 20572681) has the molecular formula C6H13BrN4O and a molecular weight of 237.10 g/mol. Its IUPAC name is 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide.

Molecular Properties

Compound Name4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide
PubChem CID20572681
Molecular FormulaC6H13BrN4O
Molecular Weight237.10 g/mol
Exact Mass236.03
IUPAC Name4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide
SMILESBr.[H]/N=C(\N)N1C(=O)NC(C)C1C
InChIInChI=1S/C6H12N4O.BrH/c1-3-4(2)10(5(7)8)6(11)9-3;/h3-4H,1-2H3,(H3,7,8)(H,9,11);1H
InChIKeyXZKSCXYXEBISBF-UHFFFAOYSA-N
XLogP0.26
TPSA82.21 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 50.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide?
The IUPAC name of 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide (CID 20572681) is 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide.
What is the SMILES notation for 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide?
The canonical SMILES for 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide is Br.[H]/N=C(\N)N1C(=O)NC(C)C1C.
What is the InChIKey of 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide?
The InChIKey is XZKSCXYXEBISBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N4O.BrH/c1-3-4(2)10(5(7)8)6(11)9-3;/h3-4H,1-2H3,(H3,7,8)(H,9,11);1H.
What are the key properties of 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide?
4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide has a molecular weight of 237.10 g/mol, XLogP of 0.26, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-oxoimidazolidine-1-carboximidamide;hydrobromide is sourced from PubChem (CID 20572681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).