bis(2-phenylguanidine);dihydrochloride

C14H20Cl2N6 — CID 160984545

IUPACbis(2-phenylguanidine);dihydrochloride
SMILESCl.Cl.NC(N)=Nc1ccccc1.NC(N)=Nc1ccccc1
InChIInChI=1S/2C7H9N3.2ClH/c2*8-7(9)10-6-4-2-1-3-5-6;;/h2*1-5H,(H4,8,9,10);2*1H
InChIKeyKMSGOIZKPRPLAQ-UHFFFAOYSA-N
MW343.26 g/mol
LogP2.03
Rot. Bonds2

About bis(2-phenylguanidine);dihydrochloride

bis(2-phenylguanidine);dihydrochloride (PubChem CID 160984545) has the molecular formula C14H20Cl2N6 and a molecular weight of 343.26 g/mol. Its IUPAC name is bis(2-phenylguanidine);dihydrochloride.

Molecular Properties

Compound Namebis(2-phenylguanidine);dihydrochloride
PubChem CID160984545
Molecular FormulaC14H20Cl2N6
Molecular Weight343.26 g/mol
Exact Mass342.11
IUPAC Namebis(2-phenylguanidine);dihydrochloride
SMILESCl.Cl.NC(N)=Nc1ccccc1.NC(N)=Nc1ccccc1
InChIInChI=1S/2C7H9N3.2ClH/c2*8-7(9)10-6-4-2-1-3-5-6;;/h2*1-5H,(H4,8,9,10);2*1H
InChIKeyKMSGOIZKPRPLAQ-UHFFFAOYSA-N
XLogP2.03
TPSA128.80 Ų
H-Bond Donors4
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.26
LogP ≤ 52.03
H-Bond Donors ≤ 54
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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Related Compounds

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2-[3-[[4-(diaminomethylideneamino)phenyl]methyl]phenyl]guanidine;hydrochloride
CID 90644414
3-acetyl-2-hydroxybenzoic acid;2-phenylguanidine
CID 70542552
2-[4-(dimethylamino)phenyl]guanidine;dihydrochloride
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Frequently Asked Questions

What is the IUPAC name of bis(2-phenylguanidine);dihydrochloride?
The IUPAC name of bis(2-phenylguanidine);dihydrochloride (CID 160984545) is bis(2-phenylguanidine);dihydrochloride.
What is the SMILES notation for bis(2-phenylguanidine);dihydrochloride?
The canonical SMILES for bis(2-phenylguanidine);dihydrochloride is Cl.Cl.NC(N)=Nc1ccccc1.NC(N)=Nc1ccccc1.
What is the InChIKey of bis(2-phenylguanidine);dihydrochloride?
The InChIKey is KMSGOIZKPRPLAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H9N3.2ClH/c2*8-7(9)10-6-4-2-1-3-5-6;;/h2*1-5H,(H4,8,9,10);2*1H.
What are the key properties of bis(2-phenylguanidine);dihydrochloride?
bis(2-phenylguanidine);dihydrochloride has a molecular weight of 343.26 g/mol, XLogP of 2.03, 2 rotatable bonds, 4 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-phenylguanidine);dihydrochloride is sourced from PubChem (CID 160984545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).