2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine

C23H22N4O — CID 52948829

IUPAC2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N4O/c24-23(25)27-26-22(20-9-5-2-6-10-20)16-13-18-11-14-21(15-12-18)28-17-19-7-3-1-4-8-19/h1-16H,17H2,(H4,24,25,27)/b16-13+,26-22-
InChIKeyUAQKKBSEFBWDBK-XFTZHWDKSA-N
MW370.46 g/mol
LogP3.96
Rot. Bonds7

About 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine

2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine (PubChem CID 52948829) has the molecular formula C23H22N4O and a molecular weight of 370.46 g/mol. Its IUPAC name is 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine
PubChem CID52948829
Molecular FormulaC23H22N4O
Molecular Weight370.46 g/mol
Exact Mass370.18
IUPAC Name2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine
SMILESNC(N)=N/N=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C23H22N4O/c24-23(25)27-26-22(20-9-5-2-6-10-20)16-13-18-11-14-21(15-12-18)28-17-19-7-3-1-4-8-19/h1-16H,17H2,(H4,24,25,27)/b16-13+,26-22-
InChIKeyUAQKKBSEFBWDBK-XFTZHWDKSA-N
XLogP3.96
TPSA85.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.46
LogP ≤ 53.96
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'}

Analyze 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

alpha,alpha'-Di(amidinophenoxy)-p-xylene
CID 3000497
4-[[2-[(4-Carbamimidoylphenoxy)methyl]phenyl]methoxy]benzamidine
CID 3010932
Heptamidine
CID 9929221
4-(8-Phenoxyoctoxy)benzenecarboximidamide
CID 10382641
2-[(3,4-Dibenzoxybenzylidene)amino]guanidine
CID 16239425
4-[10-(4-Carbamimidoylphenoxy)decoxy]benzenecarboximidamide
CID 73892806
[Bis(4-methoxyphenyl)methylidene]hydrazine
CID 259399
2-[(4-Benzoxybenzylidene)amino]guanidine
CID 9568230
2-[(2,7-Dipropoxy-9-fluorenylidene)amino]guanidine;hydrochloride
CID 24761589
2-[(E)-[(3-cyclopentyloxy-4-methoxyphenyl)-phenylmethylidene]amino]guanidine
CID 44315372
5-[(4-Phenylmethoxyphenyl)methyl]-4,5-dihydropyrimidine-2,6-diamine
CID 44344514
[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]thiourea
CID 54768953

Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine?
The IUPAC name of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine (CID 52948829) is 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine.
What is the SMILES notation for 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine?
The canonical SMILES for 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine is NC(N)=N/N=C(/C=C/c1ccc(OCc2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine?
The InChIKey is UAQKKBSEFBWDBK-XFTZHWDKSA-N. The full InChI is InChI=1S/C23H22N4O/c24-23(25)27-26-22(20-9-5-2-6-10-20)16-13-18-11-14-21(15-12-18)28-17-19-7-3-1-4-8-19/h1-16H,17H2,(H4,24,25,27)/b16-13+,26-22-.
What are the key properties of 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine?
2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine has a molecular weight of 370.46 g/mol, XLogP of 3.96, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-[(E)-1-phenyl-3-(4-phenylmethoxyphenyl)prop-2-enylidene]amino]guanidine is sourced from PubChem (CID 52948829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).