bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane

C22H32Cl2N10 — CID 70021727

IUPACbis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
SMILESC1CCCCC1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/2C8H10ClN5.C6H12/c2*9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;1-2-4-6-5-3-1/h2*1-4H,(H6,10,11,12,13,14);1-6H2
InChIKeyHPRJXEBKKAVFJF-UHFFFAOYSA-N
MW507.47 g/mol
LogP3.46
Rot. Bonds2

About bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane

bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane (PubChem CID 70021727) has the molecular formula C22H32Cl2N10 and a molecular weight of 507.47 g/mol. Its IUPAC name is bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane.

Molecular Properties

Compound Namebis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
PubChem CID70021727
Molecular FormulaC22H32Cl2N10
Molecular Weight507.47 g/mol
Exact Mass506.22
IUPAC Namebis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
SMILESC1CCCCC1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/2C8H10ClN5.C6H12/c2*9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;1-2-4-6-5-3-1/h2*1-4H,(H6,10,11,12,13,14);1-6H2
InChIKeyHPRJXEBKKAVFJF-UHFFFAOYSA-N
XLogP3.46
TPSA205.56 Ų
H-Bond Donors6
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500507.47
LogP ≤ 53.46
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane?
The IUPAC name of bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane (CID 70021727) is bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane.
What is the SMILES notation for bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane?
The canonical SMILES for bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane is C1CCCCC1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1.NC(N)=N/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane?
The InChIKey is HPRJXEBKKAVFJF-UHFFFAOYSA-N. The full InChI is InChI=1S/2C8H10ClN5.C6H12/c2*9-5-1-3-6(4-2-5)13-8(12)14-7(10)11;1-2-4-6-5-3-1/h2*1-4H,(H6,10,11,12,13,14);1-6H2.
What are the key properties of bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane?
bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane has a molecular weight of 507.47 g/mol, XLogP of 3.46, 2 rotatable bonds, 6 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane is sourced from PubChem (CID 70021727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).