2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine

C9H12ClN5 — CID 11971703

IUPAC2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccccc1Cl
InChIInChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
InChIKeyODEDYCTVVHOSHW-UHFFFAOYSA-N
MW225.68 g/mol
LogP0.43
Rot. Bonds2

About 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine

2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine (PubChem CID 11971703) has the molecular formula C9H12ClN5 and a molecular weight of 225.68 g/mol. Its IUPAC name is 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
PubChem CID11971703
Molecular FormulaC9H12ClN5
Molecular Weight225.68 g/mol
Exact Mass225.08
IUPAC Name2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/Cc1ccccc1Cl
InChIInChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15)
InChIKeyODEDYCTVVHOSHW-UHFFFAOYSA-N
XLogP0.43
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.68
LogP ≤ 50.43
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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Frequently Asked Questions

What is the IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine (CID 11971703) is 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/Cc1ccccc1Cl.
What is the InChIKey of 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine?
The InChIKey is ODEDYCTVVHOSHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN5/c10-7-4-2-1-3-6(7)5-14-9(13)15-8(11)12/h1-4H,5H2,(H6,11,12,13,14,15).
What are the key properties of 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine?
2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine has a molecular weight of 225.68 g/mol, XLogP of 0.43, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-chlorophenyl)methyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 11971703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).