1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine

C15H14Cl3N5 — CID 54323044

IUPAC1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
SMILESNC(=N/C(N)=N/Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3N5/c16-10-3-5-12(6-4-10)22-15(20)23-14(19)21-8-9-1-2-11(17)7-13(9)18/h1-7H,8H2,(H5,19,20,21,22,23)
InChIKeySSZCRPQCZOWYEZ-UHFFFAOYSA-N
MW370.67 g/mol
LogP3.89
Rot. Bonds3

About 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine

1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine (PubChem CID 54323044) has the molecular formula C15H14Cl3N5 and a molecular weight of 370.67 g/mol. Its IUPAC name is 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine.

Molecular Properties

Compound Name1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
PubChem CID54323044
Molecular FormulaC15H14Cl3N5
Molecular Weight370.67 g/mol
Exact Mass369.03
IUPAC Name1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
SMILESNC(=N/C(N)=N/Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14Cl3N5/c16-10-3-5-12(6-4-10)22-15(20)23-14(19)21-8-9-1-2-11(17)7-13(9)18/h1-7H,8H2,(H5,19,20,21,22,23)
InChIKeySSZCRPQCZOWYEZ-UHFFFAOYSA-N
XLogP3.89
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.67
LogP ≤ 53.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]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

2-[(2,4-dichlorophenyl)methyl]-1-(4-methylphenyl)guanidine
CID 111024839
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-benzylguanidine
CID 24835744
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine dichloride
CID 85066607
1-[amino-(4-chloroanilino)methylidene]-2-(3-hydroxypropyl)guanidine
CID 70648810
1-[N'-[(4-chlorophenyl)methyl]carbamimidoyl]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 15598981
1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride
CID 162321275
2-[(2,4-dichlorophenyl)methyl]-1-ethylguanidine
CID 111024875
2-[6-[[amino-[[N'-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]carbamimidoyl]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 125287601
2-[(2,4-dichlorophenyl)methyl]-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)guanidine;hydroiodide
CID 111024864
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;phosphoric acid
CID 70657598
2-[6-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine;formaldehyde;urea
CID 174805823

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine?
The IUPAC name of 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine (CID 54323044) is 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine.
What is the SMILES notation for 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine?
The canonical SMILES for 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine is NC(=N/C(N)=N/Cc1ccc(Cl)cc1Cl)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine?
The InChIKey is SSZCRPQCZOWYEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14Cl3N5/c16-10-3-5-12(6-4-10)22-15(20)23-14(19)21-8-9-1-2-11(17)7-13(9)18/h1-7H,8H2,(H5,19,20,21,22,23).
What are the key properties of 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine?
1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine has a molecular weight of 370.67 g/mol, XLogP of 3.89, 3 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine is sourced from PubChem (CID 54323044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).