2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine

C10H10ClN5O — CID 168592781

IUPAC2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine
SMILESN#CCOc1ccc(Cl)cc1C=NN=C(N)N
InChIInChI=1S/C10H10ClN5O/c11-8-1-2-9(17-4-3-12)7(5-8)6-15-16-10(13)14/h1-2,5-6H,4H2,(H4,13,14,16)
InChIKeyORAWHIDXTAIFGW-UHFFFAOYSA-N
MW251.68 g/mol
LogP0.85
Rot. Bonds4

About 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine

2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine (PubChem CID 168592781) has the molecular formula C10H10ClN5O and a molecular weight of 251.68 g/mol. Its IUPAC name is 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine
PubChem CID168592781
Molecular FormulaC10H10ClN5O
Molecular Weight251.68 g/mol
Exact Mass251.06
IUPAC Name2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine
SMILESN#CCOc1ccc(Cl)cc1C=NN=C(N)N
InChIInChI=1S/C10H10ClN5O/c11-8-1-2-9(17-4-3-12)7(5-8)6-15-16-10(13)14/h1-2,5-6H,4H2,(H4,13,14,16)
InChIKeyORAWHIDXTAIFGW-UHFFFAOYSA-N
XLogP0.85
TPSA109.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.68
LogP ≤ 50.85
H-Bond Donors ≤ 52
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-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine with MolForge

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

Launch Full Analysis

Related Compounds

[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]urea
CID 168532706
2-[[5-chloro-2-(3-methylbutoxy)phenyl]methylideneamino]guanidine
CID 168592723
2-[[5-chloro-2-[(2,5-difluorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168590729
2-[[5-bromo-2-(3-cyanopropoxy)phenyl]methylideneamino]guanidine
CID 168592171
2-[(E)-[4-chloro-2-[(4-chlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728636
2-[[2-[(2,4-dichlorophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 168593045
N-[(5-chloro-2-prop-2-ynoxyphenyl)methylidene]hydroxylamine
CID 2287439
2-[(E)-[5-bromo-2-[(4-cyanophenyl)methoxy]phenyl]methylideneamino]guanidine
CID 16728613
2-(2,5-dichlorophenoxy)acetonitrile
CID 3361196
2-[(5-bromo-2-pentoxyphenyl)methylideneamino]guanidine
CID 168590980
4-amino-N'-[[2-(cyanomethoxy)phenyl]methylideneamino]-1,2,5-oxadiazole-3-carboximidamide
CID 91945235
ethyl 2-[4-bromo-2-[(diaminomethylidenehydrazinylidene)methyl]phenoxy]acetate
CID 168590773

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine?
The IUPAC name of 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine (CID 168592781) is 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine?
The canonical SMILES for 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine is N#CCOc1ccc(Cl)cc1C=NN=C(N)N.
What is the InChIKey of 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine?
The InChIKey is ORAWHIDXTAIFGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN5O/c11-8-1-2-9(17-4-3-12)7(5-8)6-15-16-10(13)14/h1-2,5-6H,4H2,(H4,13,14,16).
What are the key properties of 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine?
2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine has a molecular weight of 251.68 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(cyanomethoxy)phenyl]methylideneamino]guanidine is sourced from PubChem (CID 168592781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).