2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride

C16H13Cl3N4 — CID 44531851

IUPAC2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1c2ccccc2c(Cl)c2ccc(Cl)cc12
InChIInChI=1S/C16H12Cl2N4.ClH/c17-9-5-6-12-13(7-9)14(8-21-22-16(19)20)10-3-1-2-4-11(10)15(12)18;/h1-8H,(H4,19,20,22);1H
InChIKeyXKFMIHBFWWOQER-UHFFFAOYSA-N
MW367.67 g/mol
LogP4.33
Rot. Bonds2

About 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride

2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride (PubChem CID 44531851) has the molecular formula C16H13Cl3N4 and a molecular weight of 367.67 g/mol. Its IUPAC name is 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
PubChem CID44531851
Molecular FormulaC16H13Cl3N4
Molecular Weight367.67 g/mol
Exact Mass366.02
IUPAC Name2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride
SMILESCl.NC(N)=NN=Cc1c2ccccc2c(Cl)c2ccc(Cl)cc12
InChIInChI=1S/C16H12Cl2N4.ClH/c17-9-5-6-12-13(7-9)14(8-21-22-16(19)20)10-3-1-2-4-11(10)15(12)18;/h1-8H,(H4,19,20,22);1H
InChIKeyXKFMIHBFWWOQER-UHFFFAOYSA-N
XLogP4.33
TPSA76.76 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.67
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride (CID 44531851) is 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride is Cl.NC(N)=NN=Cc1c2ccccc2c(Cl)c2ccc(Cl)cc12.
What is the InChIKey of 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
The InChIKey is XKFMIHBFWWOQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2N4.ClH/c17-9-5-6-12-13(7-9)14(8-21-22-16(19)20)10-3-1-2-4-11(10)15(12)18;/h1-8H,(H4,19,20,22);1H.
What are the key properties of 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride?
2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride has a molecular weight of 367.67 g/mol, XLogP of 4.33, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,10-dichloroanthracen-9-yl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 44531851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).