2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride

C18H24Cl2N8 — CID 134155798

IUPAC2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc(-c2ccc(/C(C)=N/N=C(N)N)cc2)cc1.Cl.Cl
InChIInChI=1S/C18H22N8.2ClH/c1-11(23-25-17(19)20)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)24-26-18(21)22;;/h3-10H,1-2H3,(H4,19,20,25)(H4,21,22,26);2*1H/b23-11+,24-12+;;
InChIKeyMPKXWKYQLSZCOZ-JKCMIZSDSA-N
MW423.35 g/mol
LogP2.19
Rot. Bonds5

About 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride

2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride (PubChem CID 134155798) has the molecular formula C18H24Cl2N8 and a molecular weight of 423.35 g/mol. Its IUPAC name is 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride.

Molecular Properties

Compound Name2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride
PubChem CID134155798
Molecular FormulaC18H24Cl2N8
Molecular Weight423.35 g/mol
Exact Mass422.15
IUPAC Name2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride
SMILESC/C(=N\N=C(N)N)c1ccc(-c2ccc(/C(C)=N/N=C(N)N)cc2)cc1.Cl.Cl
InChIInChI=1S/C18H22N8.2ClH/c1-11(23-25-17(19)20)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)24-26-18(21)22;;/h3-10H,1-2H3,(H4,19,20,25)(H4,21,22,26);2*1H/b23-11+,24-12+;;
InChIKeyMPKXWKYQLSZCOZ-JKCMIZSDSA-N
XLogP2.19
TPSA153.52 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.35
LogP ≤ 52.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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'}

Analyze 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride?
The IUPAC name of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride (CID 134155798) is 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride.
What is the SMILES notation for 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride?
The canonical SMILES for 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride is C/C(=N\N=C(N)N)c1ccc(-c2ccc(/C(C)=N/N=C(N)N)cc2)cc1.Cl.Cl.
What is the InChIKey of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride?
The InChIKey is MPKXWKYQLSZCOZ-JKCMIZSDSA-N. The full InChI is InChI=1S/C18H22N8.2ClH/c1-11(23-25-17(19)20)13-3-7-15(8-4-13)16-9-5-14(6-10-16)12(2)24-26-18(21)22;;/h3-10H,1-2H3,(H4,19,20,25)(H4,21,22,26);2*1H/b23-11+,24-12+;;.
What are the key properties of 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride?
2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride has a molecular weight of 423.35 g/mol, XLogP of 2.19, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-1-[4-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]phenyl]ethylideneamino]guanidine;dihydrochloride is sourced from PubChem (CID 134155798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).