2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine

C12H14N6 — CID 6061975

IUPAC2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H14N6/c1-9(16-17-12(13)14)10-2-4-11(5-3-10)18-7-6-15-8-18/h2-8H,1H3,(H4,13,14,17)/b16-9-
InChIKeyGLNBBZRPLXMRJQ-SXGWCWSVSA-N
MW242.29 g/mol
LogP0.87
Rot. Bonds3

About 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine

2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine (PubChem CID 6061975) has the molecular formula C12H14N6 and a molecular weight of 242.29 g/mol. Its IUPAC name is 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
PubChem CID6061975
Molecular FormulaC12H14N6
Molecular Weight242.29 g/mol
Exact Mass242.13
IUPAC Name2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
SMILESC/C(=N/N=C(N)N)c1ccc(-n2ccnc2)cc1
InChIInChI=1S/C12H14N6/c1-9(16-17-12(13)14)10-2-4-11(5-3-10)18-7-6-15-8-18/h2-8H,1H3,(H4,13,14,17)/b16-9-
InChIKeyGLNBBZRPLXMRJQ-SXGWCWSVSA-N
XLogP0.87
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.29
LogP ≤ 50.87
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'}

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Related Compounds

2-[(E)-1-[2-(4-imidazol-1-ylphenyl)-4-methyl-1,3-thiazol-5-yl]ethylideneamino]guanidine
CID 155549560
5-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide
CID 76562322
N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 43188203
2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
CID 72730801
methyl N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]carbamate
CID 1471816
1-(4-imidazol-1-ylphenyl)ethanimine
CID 167508669
N-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]propanamide
CID 17250261
[1-(4-imidazol-1-ylphenyl)ethylideneamino] N-phenylcarbamate
CID 1487834
1-[4-[(Z)-1-fluoroprop-1-enyl]phenyl]imidazole
CID 173228165
N-[1-(4-imidazol-1-ylphenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 3484364
1-[(E)-1-(4-imidazol-1-ylphenyl)ethylideneamino]-3-phenylthiourea
CID 86577640
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine?
The IUPAC name of 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine (CID 6061975) is 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine.
What is the SMILES notation for 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine?
The canonical SMILES for 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine is C/C(=N/N=C(N)N)c1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine?
The InChIKey is GLNBBZRPLXMRJQ-SXGWCWSVSA-N. The full InChI is InChI=1S/C12H14N6/c1-9(16-17-12(13)14)10-2-4-11(5-3-10)18-7-6-15-8-18/h2-8H,1H3,(H4,13,14,17)/b16-9-.
What are the key properties of 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine?
2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine has a molecular weight of 242.29 g/mol, XLogP of 0.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine is sourced from PubChem (CID 6061975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).