2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine

C11H12N6 — CID 72730801

IUPAC2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H12N6/c12-11(13)16-15-7-9-1-3-10(4-2-9)17-6-5-14-8-17/h1-8H,(H4,12,13,16)
InChIKeyPJBKKUHSCJFSFF-UHFFFAOYSA-N
MW228.26 g/mol
LogP0.48
Rot. Bonds3

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

2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine (PubChem CID 72730801) has the molecular formula C11H12N6 and a molecular weight of 228.26 g/mol. Its IUPAC name is 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine.

Molecular Properties

Compound Name2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
PubChem CID72730801
Molecular FormulaC11H12N6
Molecular Weight228.26 g/mol
Exact Mass228.11
IUPAC Name2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C11H12N6/c12-11(13)16-15-7-9-1-3-10(4-2-9)17-6-5-14-8-17/h1-8H,(H4,12,13,16)
InChIKeyPJBKKUHSCJFSFF-UHFFFAOYSA-N
XLogP0.48
TPSA94.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.26
LogP ≤ 50.48
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-[(Z)-1-(4-imidazol-1-ylphenyl)ethylideneamino]guanidine
CID 6061975
(E)-1-(4-imidazol-1-ylphenyl)-N-methoxymethanimine
CID 58835268
N'-hydroxy-4-imidazol-1-ylbenzenecarboximidamide
CID 43188203
2-[(4-imidazol-1-ylphenyl)methylideneamino]oxyacetic acid
CID 77013453
4-tert-butyl-N-[(E)-(4-imidazol-1-ylphenyl)methylideneamino]benzamide
CID 47007350
(E)-3-(4-imidazol-1-ylphenyl)prop-2-en-1-ol
CID 22631238
(E)-2-cyano-3-(4-imidazol-1-ylphenyl)prop-2-enamide
CID 56840682
3-(4-imidazol-1-ylphenyl)prop-2-enoic acid
CID 4961802
4-imidazol-1-ylaniline;trihydrochloride
CID 68693958
(E)-4-(4-imidazol-1-ylphenyl)-3-methylbut-3-en-2-one
CID 103090983
8-[(2E)-2-[(4-imidazol-1-ylphenyl)methylidene]hydrazinyl]-8-oxooctanoic acid
CID 23778456
3,5-bis(4-imidazol-1-ylphenyl)-1,2,4-triazol-4-amine
CID 91579296

Frequently Asked Questions

What is the IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine?
The IUPAC name of 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine (CID 72730801) is 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine.
What is the SMILES notation for 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine?
The canonical SMILES for 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine is NC(N)=NN=Cc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine?
The InChIKey is PJBKKUHSCJFSFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6/c12-11(13)16-15-7-9-1-3-10(4-2-9)17-6-5-14-8-17/h1-8H,(H4,12,13,16).
What are the key properties of 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine?
2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine has a molecular weight of 228.26 g/mol, XLogP of 0.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-imidazol-1-ylphenyl)methylideneamino]guanidine is sourced from PubChem (CID 72730801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).