5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride

C5H8Cl2N4 — CID 175341928

IUPAC5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ncc(Cl)n1C
InChIInChI=1S/C5H7ClN4.ClH/c1-10-3(6)2-9-5(10)4(7)8;/h2H,1H3,(H3,7,8);1H
InChIKeyFXZPJTUSGILXFE-UHFFFAOYSA-N
MW195.05 g/mol
LogP0.78
Rot. Bonds1

About 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride

5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride (PubChem CID 175341928) has the molecular formula C5H8Cl2N4 and a molecular weight of 195.05 g/mol. Its IUPAC name is 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride.

Molecular Properties

Compound Name5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride
PubChem CID175341928
Molecular FormulaC5H8Cl2N4
Molecular Weight195.05 g/mol
Exact Mass194.01
IUPAC Name5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride
SMILESCl.[H]/N=C(\N)c1ncc(Cl)n1C
InChIInChI=1S/C5H7ClN4.ClH/c1-10-3(6)2-9-5(10)4(7)8;/h2H,1H3,(H3,7,8);1H
InChIKeyFXZPJTUSGILXFE-UHFFFAOYSA-N
XLogP0.78
TPSA67.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.05
LogP ≤ 50.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride?
The IUPAC name of 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride (CID 175341928) is 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride.
What is the SMILES notation for 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride?
The canonical SMILES for 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride is Cl.[H]/N=C(\N)c1ncc(Cl)n1C.
What is the InChIKey of 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride?
The InChIKey is FXZPJTUSGILXFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7ClN4.ClH/c1-10-3(6)2-9-5(10)4(7)8;/h2H,1H3,(H3,7,8);1H.
What are the key properties of 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride?
5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride has a molecular weight of 195.05 g/mol, XLogP of 0.78, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-1-methylimidazole-2-carboximidamide;hydrochloride is sourced from PubChem (CID 175341928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).