1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine

C17H17Cl2N5 — CID 118931061

IUPAC1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(/N)N/N=C(\C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N5/c1-11(13-3-7-15(18)8-4-13)21-23-17(20)24-22-12(2)14-5-9-16(19)10-6-14/h3-10H,1-2H3,(H3,20,23,24)/b21-11+,22-12+
InChIKeyGLFSMMYTJLWMBO-XHQRYOPUSA-N
MW362.26 g/mol
LogP4.05
Rot. Bonds4

About 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine

1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine (PubChem CID 118931061) has the molecular formula C17H17Cl2N5 and a molecular weight of 362.26 g/mol. Its IUPAC name is 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine.

Molecular Properties

Compound Name1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine
PubChem CID118931061
Molecular FormulaC17H17Cl2N5
Molecular Weight362.26 g/mol
Exact Mass361.09
IUPAC Name1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine
SMILESC/C(=N\N=C(/N)N/N=C(\C)c1ccc(Cl)cc1)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N5/c1-11(13-3-7-15(18)8-4-13)21-23-17(20)24-22-12(2)14-5-9-16(19)10-6-14/h3-10H,1-2H3,(H3,20,23,24)/b21-11+,22-12+
InChIKeyGLFSMMYTJLWMBO-XHQRYOPUSA-N
XLogP4.05
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.26
LogP ≤ 54.05
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine?
The IUPAC name of 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine (CID 118931061) is 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine.
What is the SMILES notation for 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine?
The canonical SMILES for 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine is C/C(=N\N=C(/N)N/N=C(\C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.
What is the InChIKey of 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine?
The InChIKey is GLFSMMYTJLWMBO-XHQRYOPUSA-N. The full InChI is InChI=1S/C17H17Cl2N5/c1-11(13-3-7-15(18)8-4-13)21-23-17(20)24-22-12(2)14-5-9-16(19)10-6-14/h3-10H,1-2H3,(H3,20,23,24)/b21-11+,22-12+.
What are the key properties of 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine?
1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine has a molecular weight of 362.26 g/mol, XLogP of 4.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(E)-1-(4-chlorophenyl)ethylideneamino]guanidine is sourced from PubChem (CID 118931061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).