1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine

C8H9Cl2N5 — CID 2730227

IUPAC1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKeyVBICEVQOHHQRLY-UHFFFAOYSA-N
MW246.10 g/mol
LogP1.21
Rot. Bonds1

About 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine

1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine (PubChem CID 2730227) has the molecular formula C8H9Cl2N5 and a molecular weight of 246.10 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
PubChem CID2730227
Molecular FormulaC8H9Cl2N5
Molecular Weight246.10 g/mol
Exact Mass245.02
IUPAC Name1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine
SMILESNC(N)=N/C(N)=N/c1cccc(Cl)c1Cl
InChIInChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15)
InChIKeyVBICEVQOHHQRLY-UHFFFAOYSA-N
XLogP1.21
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.10
LogP ≤ 51.21
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'}

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Related Compounds

2-(2,3-dichlorophenyl)-1-hydroxyguanidine
CID 62482072
2-(3-chloro-2-pyrazol-1-ylphenyl)-1-(diaminomethylidene)guanidine
CID 168604458
1-(diaminomethylidene)-2-(2,3-dimethylphenyl)guanidine
CID 2730206
1-(diaminomethylidene)-2-(2-methylphenyl)guanidine
CID 7155
2-(5-aminonaphthalen-1-yl)-1-(diaminomethylidene)guanidine
CID 11254455
1-(diaminomethylidene)-2-(2-iodophenyl)guanidine;hydrochloride
CID 146317046
2-[3-chloro-2-(3-methylpiperidin-1-yl)phenyl]-1-(diaminomethylidene)guanidine
CID 168602614
1-(diaminomethylidene)-2-(3,5-dichloro-2-hydroxy-4-methylphenyl)guanidine
CID 168605867
2-(3-chloro-2-methylphenyl)guanidine
CID 45496576
2-(2-chloro-3-methylphenyl)guanidine
CID 126455748
1-(diaminomethylidene)-2-(9,10-dioxoanthracen-1-yl)guanidine
CID 168606063
1-(diaminomethylidene)-2-[2-(2-hydroxyethyl)phenyl]guanidine
CID 168601501

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine (CID 2730227) is 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine is NC(N)=N/C(N)=N/c1cccc(Cl)c1Cl.
What is the InChIKey of 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine?
The InChIKey is VBICEVQOHHQRLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2N5/c9-4-2-1-3-5(6(4)10)14-8(13)15-7(11)12/h1-3H,(H6,11,12,13,14,15).
What are the key properties of 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine?
1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine has a molecular weight of 246.10 g/mol, XLogP of 1.21, 1 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-(2,3-dichlorophenyl)guanidine is sourced from PubChem (CID 2730227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).