2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine

C14H14ClN5 — CID 168602563

IUPAC2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClN5/c15-11-3-1-2-10(8-11)9-4-6-12(7-5-9)19-14(18)20-13(16)17/h1-8H,(H6,16,17,18,19,20)
InChIKeyUSNUYJDFOXTGCX-UHFFFAOYSA-N
MW287.75 g/mol
LogP2.23
Rot. Bonds2

About 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine

2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine (PubChem CID 168602563) has the molecular formula C14H14ClN5 and a molecular weight of 287.75 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine
PubChem CID168602563
Molecular FormulaC14H14ClN5
Molecular Weight287.75 g/mol
Exact Mass287.09
IUPAC Name2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine
SMILESNC(N)=N/C(N)=N/c1ccc(-c2cccc(Cl)c2)cc1
InChIInChI=1S/C14H14ClN5/c15-11-3-1-2-10(8-11)9-4-6-12(7-5-9)19-14(18)20-13(16)17/h1-8H,(H6,16,17,18,19,20)
InChIKeyUSNUYJDFOXTGCX-UHFFFAOYSA-N
XLogP2.23
TPSA102.78 Ų
H-Bond Donors3
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.75
LogP ≤ 52.23
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

bis(2-(4-chlorophenyl)-1-(diaminomethylidene)guanidine);cyclohexane
CID 70021727
1-(diaminomethylidene)-2-[4-(6-methyl-2-pyridinyl)phenyl]guanidine
CID 168602688
2-(4-bromophenyl)-1-(diaminomethylidene)guanidine
CID 29665
4-(3-chlorophenyl)benzoate
CID 7021697
2-[4-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]benzoic acid
CID 168604342
1-(diaminomethylidene)-2-(3,4-dichlorophenyl)guanidine;2,3-dihydroxybutanedioic acid
CID 50938838
4-(3-chlorophenyl)benzene-1,2-diamine
CID 13007821
2-[1-(3-chlorophenyl)ethyl]-1-(diaminomethylidene)guanidine
CID 83036957
methyl 4-[3-[[amino-(diaminomethylideneamino)methylidene]amino]phenyl]-2-fluorobenzoate
CID 168604281
N'-[N'-(3-chlorophenyl)carbamimidoyl]piperidine-1-carboximidamide
CID 141426673
4-[4-(3-chlorophenyl)phenyl]-4-oxobutanamide
CID 172686182
N'-[N'-(4-phenylphenyl)carbamimidoyl]pyrrolidine-1-carboximidamide
CID 123601704

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine?
The IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine (CID 168602563) is 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine.
What is the SMILES notation for 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine?
The canonical SMILES for 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine is NC(N)=N/C(N)=N/c1ccc(-c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine?
The InChIKey is USNUYJDFOXTGCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14ClN5/c15-11-3-1-2-10(8-11)9-4-6-12(7-5-9)19-14(18)20-13(16)17/h1-8H,(H6,16,17,18,19,20).
What are the key properties of 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine?
2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine has a molecular weight of 287.75 g/mol, XLogP of 2.23, 2 rotatable bonds, 3 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)phenyl]-1-(diaminomethylidene)guanidine is sourced from PubChem (CID 168602563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).