2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine

C10H14ClN5 — CID 123842816

IUPAC2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
SMILESCN(C)C(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN5/c1-16(2)10(13)15-9(12)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H4,12,13,14,15)
InChIKeySPADDUDUJKQYFT-UHFFFAOYSA-N
MW239.71 g/mol
LogP1.16
Rot. Bonds1

About 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine

2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine (PubChem CID 123842816) has the molecular formula C10H14ClN5 and a molecular weight of 239.71 g/mol. Its IUPAC name is 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine.

Molecular Properties

Compound Name2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
PubChem CID123842816
Molecular FormulaC10H14ClN5
Molecular Weight239.71 g/mol
Exact Mass239.09
IUPAC Name2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine
SMILESCN(C)C(N)=N/C(N)=N/c1ccc(Cl)cc1
InChIInChI=1S/C10H14ClN5/c1-16(2)10(13)15-9(12)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H4,12,13,14,15)
InChIKeySPADDUDUJKQYFT-UHFFFAOYSA-N
XLogP1.16
TPSA80.00 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.71
LogP ≤ 51.16
H-Bond Donors ≤ 52
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-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine?
The IUPAC name of 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine (CID 123842816) is 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine.
What is the SMILES notation for 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine?
The canonical SMILES for 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine is CN(C)C(N)=N/C(N)=N/c1ccc(Cl)cc1.
What is the InChIKey of 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine?
The InChIKey is SPADDUDUJKQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN5/c1-16(2)10(13)15-9(12)14-8-5-3-7(11)4-6-8/h3-6H,1-2H3,(H4,12,13,14,15).
What are the key properties of 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine?
2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine has a molecular weight of 239.71 g/mol, XLogP of 1.16, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N'-(4-chlorophenyl)carbamimidoyl]-1,1-dimethylguanidine is sourced from PubChem (CID 123842816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).