2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine

C17H16FN5 — CID 168592291

IUPAC2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H16FN5/c18-15-4-1-12(2-5-15)11-23-8-7-14-9-13(3-6-16(14)23)10-21-22-17(19)20/h1-10H,11H2,(H4,19,20,22)
InChIKeyGVKHINUSKOLAAU-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.44
Rot. Bonds4

About 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine

2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine (PubChem CID 168592291) has the molecular formula C17H16FN5 and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine.

Molecular Properties

Compound Name2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine
PubChem CID168592291
Molecular FormulaC17H16FN5
Molecular Weight309.35 g/mol
Exact Mass309.14
IUPAC Name2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine
SMILESNC(N)=NN=Cc1ccc2c(ccn2Cc2ccc(F)cc2)c1
InChIInChI=1S/C17H16FN5/c18-15-4-1-12(2-5-15)11-23-8-7-14-9-13(3-6-16(14)23)10-21-22-17(19)20/h1-10H,11H2,(H4,19,20,22)
InChIKeyGVKHINUSKOLAAU-UHFFFAOYSA-N
XLogP2.44
TPSA81.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidenehydrazine
CID 168530528
[(E)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]urea
CID 126247362
3-[1-[(4-fluorophenyl)methyl]indol-5-yl]propan-1-amine
CID 170867983
ethyl 2-[2-[2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylidene]hydrazinyl]-1,3-thiazol-4-yl]acetate
CID 168624362
N-(4-chlorophenyl)-1-[1-[(3-fluorophenyl)methyl]indol-5-yl]methanimine
CID 126249418
1-[(4-fluorophenyl)methyl]-N-hydrazinylideneindole-5-carboximidamide
CID 142911235
N-[(Z)-[1-[(3-fluorophenyl)methyl]indol-5-yl]methylideneamino]-3-hydroxybenzamide
CID 126253017
1-[(4-chlorophenyl)methyl]indole-5-carbaldehyde
CID 17221163
2-[(3-fluoro-4-hydroxyphenyl)methylideneamino]guanidine
CID 168592367
4-[1-[(4-fluorophenyl)methyl]indol-5-yl]-3-methylbut-2-enoic acid
CID 67753951
1-[(4-ethylphenyl)methyl]indole-5-carbaldehyde
CID 102910740
2-[[1-[(4-chlorophenyl)methyl]pyrrol-2-yl]methylideneamino]guanidine
CID 137246484

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine?
The IUPAC name of 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine (CID 168592291) is 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine.
What is the SMILES notation for 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine?
The canonical SMILES for 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine is NC(N)=NN=Cc1ccc2c(ccn2Cc2ccc(F)cc2)c1.
What is the InChIKey of 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine?
The InChIKey is GVKHINUSKOLAAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5/c18-15-4-1-12(2-5-15)11-23-8-7-14-9-13(3-6-16(14)23)10-21-22-17(19)20/h1-10H,11H2,(H4,19,20,22).
What are the key properties of 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine?
2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine has a molecular weight of 309.35 g/mol, XLogP of 2.44, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(4-fluorophenyl)methyl]indol-5-yl]methylideneamino]guanidine is sourced from PubChem (CID 168592291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).