1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine

C11H15Cl2N5 — CID 22323

💊View drug profile → chlorproguanil
IUPAC1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N=C(N)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)
InChIKeyISZNZKHCRKXXAU-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.44
Rot. Bonds2

About 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine

1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine (PubChem CID 22323) has the molecular formula C11H15Cl2N5 and a molecular weight of 288.18 g/mol. Its IUPAC name is 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine.

Molecular Properties

Compound Name1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine
PubChem CID22323
Molecular FormulaC11H15Cl2N5
Molecular Weight288.18 g/mol
Exact Mass287.07
IUPAC Name1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine
SMILESCC(C)/N=C(\N)N=C(N)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18)
InChIKeyISZNZKHCRKXXAU-UHFFFAOYSA-N
XLogP2.44
TPSA88.79 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 101

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

Chlorhexidine
CID 9552079
Cycloguanil
CID 9049
Proguanil Hydrochloride
CID 9570076
Proguanil
CID 6178111
Chlorproguanil
CID 9571037
Chlorhexidine Hydrochloride
CID 9571016
Cycloguanil hydrochloride
CID 9048
1-Isopropyl-5-(4-chlorophenyl)biguanide
CID 4923
Chlorohexidine
CID 2713
1,3,5-Triazine-2,4-diamine, 1-(3,4-dichlorophenyl)-1,6-dihydro-6,6-dimethyl-
CID 25889
(1E)-1-[amino-(4-chloroanilino)methylidene]-2-propan-2-ylguanidine;hydrochloride
CID 12498
(1Z)-2-[6-[[amino-[(Z)-[amino-(4-chloroanilino)methylidene]amino]methylidene]amino]hexyl]-1-[amino-(4-chloroanilino)methylidene]guanidine
CID 5353524

Frequently Asked Questions

What is the IUPAC name of 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine?
The IUPAC name of 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine (CID 22323) is 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine.
What is the SMILES notation for 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine?
The canonical SMILES for 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine is CC(C)/N=C(\N)N=C(N)Nc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine?
The InChIKey is ISZNZKHCRKXXAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2N5/c1-6(2)16-10(14)18-11(15)17-7-3-4-8(12)9(13)5-7/h3-6H,1-2H3,(H5,14,15,16,17,18).
What are the key properties of 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine?
1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine has a molecular weight of 288.18 g/mol, XLogP of 2.44, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[amino-(3,4-dichloroanilino)methylidene]-2-propan-2-ylguanidine is sourced from PubChem (CID 22323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).