1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride

C8H11ClIN5 — CID 146317046

IUPAC1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccccc1I
InChIInChI=1S/C8H10IN5.ClH/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKeyBLVIDBNWVKTDEI-UHFFFAOYSA-N
MW339.57 g/mol
LogP0.93
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride

1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride (PubChem CID 146317046) has the molecular formula C8H11ClIN5 and a molecular weight of 339.57 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride
PubChem CID146317046
Molecular FormulaC8H11ClIN5
Molecular Weight339.57 g/mol
Exact Mass338.97
IUPAC Name1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride
SMILESCl.NC(N)=N/C(N)=N/c1ccccc1I
InChIInChI=1S/C8H10IN5.ClH/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H
InChIKeyBLVIDBNWVKTDEI-UHFFFAOYSA-N
XLogP0.93
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.57
LogP ≤ 50.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
2-(4-cyano-2-iodophenyl)-1-(diaminomethylidene)guanidine
CID 168601531
1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine
CID 168601501
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
CID 2730227
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine;isocyanic acid
CID 176527766
2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine
CID 11254455
1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
CID 168606063
1-(diaminomethylidene)-2-(2-propanoylphenyl)guanidine
CID 168602691
1-(diaminomethylidene)-2-[2-(methoxymethoxy)phenyl]guanidine
CID 168602475
2-[2-(benzimidazol-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168603959
1-(diaminomethylidene)-2-(3,5-difluoro-4-iodophenyl)guanidine;hydrochloride
CID 146317018

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride?
The IUPAC name of 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride (CID 146317046) is 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride?
The canonical SMILES for 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride is Cl.NC(N)=N/C(N)=N/c1ccccc1I.
What is the InChIKey of 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride?
The InChIKey is BLVIDBNWVKTDEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10IN5.ClH/c9-5-3-1-2-4-6(5)13-8(12)14-7(10)11;/h1-4H,(H6,10,11,12,13,14);1H.
What are the key properties of 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride?
1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride has a molecular weight of 339.57 g/mol, XLogP of 0.93, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride is sourced from PubChem (CID 146317046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).