2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine

C14H14N4O2 — CID 135460269

IUPAC2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(/c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H14N4O2/c15-14(16)18-17-13(9-4-2-1-3-5-9)11-7-6-10(19)8-12(11)20/h1-8,19-20H,(H4,15,16,18)/b17-13-
InChIKeyRUPHXHIMLGNAQP-LGMDPLHJSA-N
MW270.29 g/mol
LogP1.12
Rot. Bonds3

About 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine

2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine (PubChem CID 135460269) has the molecular formula C14H14N4O2 and a molecular weight of 270.29 g/mol. Its IUPAC name is 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
PubChem CID135460269
Molecular FormulaC14H14N4O2
Molecular Weight270.29 g/mol
Exact Mass270.11
IUPAC Name2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(/c1ccccc1)c1ccc(O)cc1O
InChIInChI=1S/C14H14N4O2/c15-14(16)18-17-13(9-4-2-1-3-5-9)11-7-6-10(19)8-12(11)20/h1-8,19-20H,(H4,15,16,18)/b17-13-
InChIKeyRUPHXHIMLGNAQP-LGMDPLHJSA-N
XLogP1.12
TPSA117.22 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.29
LogP ≤ 51.12
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'hzone_phenol_B(215)', 'substructure': 'N/A'}, {'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)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine
CID 135407116
[[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]thiourea
CID 3958079
2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine;hydrochloride
CID 88525576
2-[(Z)-[(4-fluorophenyl)-phenylmethylidene]amino]guanidine
CID 5474390
2-[(Z)-N-hydroxy-C-phenylcarbonimidoyl]benzene-1,4-diol
CID 136722434
N-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]naphthalene-2-carboxamide
CID 135853166
4-chloro-2-[N-[[(5-chloro-2-hydroxyphenyl)-phenylmethylidene]amino]-C-phenylcarbonimidoyl]phenol
CID 3627789
4-(1-hydroxyethenyl)benzene-1,3-diol
CID 89199480
2-[(Z)-[(3-hydroxyphenyl)-(6-phenyl-2-pyridinyl)methylidene]amino]guanidine
CID 139764224
N'-(benzhydrylideneamino)ethanimidamide
CID 11128320
2-(N-ethyl-C-phenylcarbonimidoyl)-5-methoxyphenol
CID 136832737
(Z)-3-(2,4-dihydroxyphenyl)-1-phenylbut-2-en-1-one
CID 102020690

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine (CID 135460269) is 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine is NC(N)=N/N=C(/c1ccccc1)c1ccc(O)cc1O.
What is the InChIKey of 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine?
The InChIKey is RUPHXHIMLGNAQP-LGMDPLHJSA-N. The full InChI is InChI=1S/C14H14N4O2/c15-14(16)18-17-13(9-4-2-1-3-5-9)11-7-6-10(19)8-12(11)20/h1-8,19-20H,(H4,15,16,18)/b17-13-.
What are the key properties of 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine?
2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine has a molecular weight of 270.29 g/mol, XLogP of 1.12, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(2,4-dihydroxyphenyl)-phenylmethylidene]amino]guanidine is sourced from PubChem (CID 135460269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).