2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine

C14H14ClN5 — CID 5491510

IUPAC2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClN5/c15-10-6-7-12(16)11(8-10)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,16H2,(H4,17,18,20)/b19-13+
InChIKeyVOMKMECTFJLAPY-CPNJWEJPSA-N
MW287.75 g/mol
LogP1.95
Rot. Bonds3

About 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine

2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine (PubChem CID 5491510) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine.

Molecular Properties

Compound Name2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
PubChem CID5491510
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine
SMILESNC(N)=N/N=C(\c1ccccc1)c1cc(Cl)ccc1N
InChIInChI=1S/C14H14ClN5/c15-10-6-7-12(16)11(8-10)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,16H2,(H4,17,18,20)/b19-13+
InChIKeyVOMKMECTFJLAPY-CPNJWEJPSA-N
XLogP1.95
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 51.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', '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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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine?
The IUPAC name of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine (CID 5491510) is 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine.
What is the SMILES notation for 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine?
The canonical SMILES for 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine is NC(N)=N/N=C(\c1ccccc1)c1cc(Cl)ccc1N.
What is the InChIKey of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine?
The InChIKey is VOMKMECTFJLAPY-CPNJWEJPSA-N. The full InChI is InChI=1S/C14H14ClN5/c15-10-6-7-12(16)11(8-10)13(19-20-14(17)18)9-4-2-1-3-5-9/h1-8H,16H2,(H4,17,18,20)/b19-13+.
What are the key properties of 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine?
2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine has a molecular weight of 287.75 g/mol, XLogP of 1.95, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-[(2-amino-5-chlorophenyl)-phenylmethylidene]amino]guanidine is sourced from PubChem (CID 5491510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).