1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride

C15H16Cl3N5O — CID 46175136

IUPAC1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2N5O.ClH/c16-10-2-1-9(13(17)7-10)8-23-12-5-3-11(4-6-12)21-15(20)22-14(18)19;/h1-7H,8H2,(H6,18,19,20,21,22);1H
InChIKeyWARSWVRUYKSASU-UHFFFAOYSA-N
MW388.69 g/mol
LogP3.21
Rot. Bonds4

About 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride

1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride (PubChem CID 46175136) has the molecular formula C15H16Cl3N5O and a molecular weight of 388.69 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride
PubChem CID46175136
Molecular FormulaC15H16Cl3N5O
Molecular Weight388.69 g/mol
Exact Mass387.04
IUPAC Name1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccc(OCc2ccc(Cl)cc2Cl)cc1
InChIInChI=1S/C15H15Cl2N5O.ClH/c16-10-2-1-9(13(17)7-10)8-23-12-5-3-11(4-6-12)21-15(20)22-14(18)19;/h1-7H,8H2,(H6,18,19,20,21,22);1H
InChIKeyWARSWVRUYKSASU-UHFFFAOYSA-N
XLogP3.21
TPSA112.01 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.69
LogP ≤ 53.21
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 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride (CID 46175136) is 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N/c1ccc(OCc2ccc(Cl)cc2Cl)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride?
The InChIKey is WARSWVRUYKSASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15Cl2N5O.ClH/c16-10-2-1-9(13(17)7-10)8-23-12-5-3-11(4-6-12)21-15(20)22-14(18)19;/h1-7H,8H2,(H6,18,19,20,21,22);1H.
What are the key properties of 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride?
1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride has a molecular weight of 388.69 g/mol, XLogP of 3.21, 4 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-[(2,4-dichlorophenyl)methoxy]phenyl]guanidine;hydrochloride is sourced from PubChem (CID 46175136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).