1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine

C16H14N6O2 — CID 168603417

IUPAC1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H14N6O2/c17-15(18)21-16(19)20-9-5-7-10(8-6-9)22-13(23)11-3-1-2-4-12(11)14(22)24/h1-8H,(H6,17,18,19,20,21)
InChIKeySFYRLSCOWGIISU-UHFFFAOYSA-N
MW322.33 g/mol
LogP0.71
Rot. Bonds2

About 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine

1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine (PubChem CID 168603417) has the molecular formula C16H14N6O2 and a molecular weight of 322.33 g/mol. Its IUPAC name is 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine.

Molecular Properties

Compound Name1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine
PubChem CID168603417
Molecular FormulaC16H14N6O2
Molecular Weight322.33 g/mol
Exact Mass322.12
IUPAC Name1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(N2C(=O)c3ccccc3C2=O)cc1
InChIInChI=1S/C16H14N6O2/c17-15(18)21-16(19)20-9-5-7-10(8-6-9)22-13(23)11-3-1-2-4-12(11)14(22)24/h1-8H,(H6,17,18,19,20,21)
InChIKeySFYRLSCOWGIISU-UHFFFAOYSA-N
XLogP0.71
TPSA140.16 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.33
LogP ≤ 50.71
H-Bond Donors ≤ 53
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': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(diaminomethylidene)-2-[4-(2,5-dioxopyrrolidin-1-yl)phenyl]guanidine
CID 168604194
methyl 4-[5-[[amino-(diaminomethylideneamino)methylidene]amino]-1,3-dioxoisoindol-2-yl]benzoate
CID 168601878
2-[4-(1,3-dioxoisoindol-2-yl)phenyl]isoindole-1,3-dione
CID 632686
2-[4-[(4-methylphenyl)diazenyl]phenyl]isoindole-1,3-dione
CID 4677085
1-(diaminomethylidene)-2-[4-[4-(4-hydroxyphenyl)piperazin-1-yl]phenyl]guanidine
CID 168601488
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
1-(diaminomethylidene)-2-[4-(3-methyl-5-oxo-4H-pyrazol-1-yl)phenyl]guanidine
CID 168604366
1-(diaminomethylidene)-2-[4-(2-phenylmethoxyphenyl)phenyl]guanidine
CID 168603689
1-(diaminomethylidene)-2-[4-[4-(2-fluorophenyl)piperazin-1-yl]phenyl]guanidine
CID 168606003
1-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-5-oxopyrrolidine-3-carboxylic acid
CID 168602367
2-[4-(trihydroxy-λ4-sulfanyl)phenyl]isoindole-1,3-dione
CID 20755596
1-(diaminomethylidene)-2-[2-(2-methylphenyl)-1,3-dioxoisoindol-4-yl]guanidine
CID 168604612

Frequently Asked Questions

What is the IUPAC name of 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine?
The IUPAC name of 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine (CID 168603417) is 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine.
What is the SMILES notation for 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine?
The canonical SMILES for 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine is NC(N)=N/C(N)=N/c1ccc(N2C(=O)c3ccccc3C2=O)cc1.
What is the InChIKey of 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine?
The InChIKey is SFYRLSCOWGIISU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6O2/c17-15(18)21-16(19)20-9-5-7-10(8-6-9)22-13(23)11-3-1-2-4-12(11)14(22)24/h1-8H,(H6,17,18,19,20,21).
What are the key properties of 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine?
1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine has a molecular weight of 322.33 g/mol, XLogP of 0.71, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(diaminomethylidene)-2-[4-(1,3-dioxoisoindol-2-yl)phenyl]guanidine is sourced from PubChem (CID 168603417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).