1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride

C13H15Cl2N5O — CID 162321275

IUPAC1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(=N/C(N)=N/Cc1ccco1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5O.ClH/c14-9-3-5-10(6-4-9)18-13(16)19-12(15)17-8-11-2-1-7-20-11;/h1-7H,8H2,(H5,15,16,17,18,19);1H
InChIKeyZOCFZRMKTNMFJU-UHFFFAOYSA-N
MW328.20 g/mol
LogP2.60
Rot. Bonds3

About 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride

1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride (PubChem CID 162321275) has the molecular formula C13H15Cl2N5O and a molecular weight of 328.20 g/mol. Its IUPAC name is 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride.

Molecular Properties

Compound Name1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride
PubChem CID162321275
Molecular FormulaC13H15Cl2N5O
Molecular Weight328.20 g/mol
Exact Mass327.07
IUPAC Name1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride
SMILESCl.NC(=N/C(N)=N/Cc1ccco1)Nc1ccc(Cl)cc1
InChIInChI=1S/C13H14ClN5O.ClH/c14-9-3-5-10(6-4-9)18-13(16)19-12(15)17-8-11-2-1-7-20-11;/h1-7H,8H2,(H5,15,16,17,18,19);1H
InChIKeyZOCFZRMKTNMFJU-UHFFFAOYSA-N
XLogP2.60
TPSA101.93 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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-(furan-2-ylmethyl)guanidine;hydrochloride 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

(1E)-1-[amino-(4-chloroanilino)methylidene]-2-benzylguanidine
CID 24835744
2-[2-[[amino-[[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]ethyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 70500438
2-[N'-(furan-2-ylmethyl)carbamimidoyl]-1,1-dimethylguanidine;hydrochloride
CID 53307570
1-[amino-(4-chloroanilino)methylidene]-2-[(2,4-dichlorophenyl)methyl]guanidine
CID 54323044
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
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-(2-phenylethyl)guanidine
CID 134125827
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-hexylguanidine;hydrochloride
CID 45260161
N-[N-(4-chlorophenyl)-N'-(furan-2-ylmethyl)carbamimidoyl]benzamide
CID 139243358
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-[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-(furan-2-ylmethyl)guanidine;hydrochloride?
The IUPAC name of 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride (CID 162321275) is 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride.
What is the SMILES notation for 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride?
The canonical SMILES for 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride is Cl.NC(=N/C(N)=N/Cc1ccco1)Nc1ccc(Cl)cc1.
What is the InChIKey of 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride?
The InChIKey is ZOCFZRMKTNMFJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O.ClH/c14-9-3-5-10(6-4-9)18-13(16)19-12(15)17-8-11-2-1-7-20-11;/h1-7H,8H2,(H5,15,16,17,18,19);1H.
What are the key properties of 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride?
1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride has a molecular weight of 328.20 g/mol, XLogP of 2.60, 3 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(4-chloroanilino)methylidene]-2-(furan-2-ylmethyl)guanidine;hydrochloride is sourced from PubChem (CID 162321275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).