1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride

C17H18Cl3N5 — CID 74961259

IUPAC1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride
SMILESCC(=NN=C(N)NN=C(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H17Cl2N5.ClH/c1-11(13-3-7-15(18)8-4-13)21-23-17(20)24-22-12(2)14-5-9-16(19)10-6-14;/h3-10H,1-2H3,(H3,20,23,24);1H
InChIKeyTVGJZCYNOJIRHJ-UHFFFAOYSA-N
MW398.73 g/mol
LogP4.47
Rot. Bonds4

About 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride

1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride (PubChem CID 74961259) has the molecular formula C17H18Cl3N5 and a molecular weight of 398.73 g/mol. Its IUPAC name is 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride
PubChem CID74961259
Molecular FormulaC17H18Cl3N5
Molecular Weight398.73 g/mol
Exact Mass397.06
IUPAC Name1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride
SMILESCC(=NN=C(N)NN=C(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl
InChIInChI=1S/C17H17Cl2N5.ClH/c1-11(13-3-7-15(18)8-4-13)21-23-17(20)24-22-12(2)14-5-9-16(19)10-6-14;/h3-10H,1-2H3,(H3,20,23,24);1H
InChIKeyTVGJZCYNOJIRHJ-UHFFFAOYSA-N
XLogP4.47
TPSA75.13 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.73
LogP ≤ 54.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1,2-bis[1-(4-tert-butylphenyl)ethylideneamino]guanidine;hydrochloride
CID 140813770
1,2-bis(1-phenylethylideneamino)guanidine
CID 145026276
1,2-bis[1-(4-tert-butylphenyl)ethylideneamino]guanidine
CID 123753114
N-[1-(4-chlorophenyl)ethylideneamino]acetamide
CID 4161102
1,2-bis[1-(4-chloro-2-hydroxyphenyl)ethylideneamino]guanidine
CID 137055378
1-N,4-N-bis[(E)-1-(4-chlorophenyl)ethylideneamino]benzene-1,4-dicarboxamide
CID 5338733
N,N'-bis[1-(4-chlorophenyl)ethylideneamino]butanediamide
CID 3140698
[(E)-1-[4-[(4-chlorophenyl)carbamothioylamino]phenyl]ethylideneamino]urea
CID 177464678
N-[(E)-1-(4-chlorophenyl)ethylideneamino]cyclopentanecarboxamide
CID 25237608
1-(4-chlorophenyl)-3-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]urea
CID 123405772
tert-butyl N-[(Z)-1-(4-chlorophenyl)ethylideneamino]carbamate
CID 7713725
[(E)-1-(3-chloro-4-fluorophenyl)ethylideneamino]thiourea
CID 139080292

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride?
The IUPAC name of 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride (CID 74961259) is 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride?
The canonical SMILES for 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride is CC(=NN=C(N)NN=C(C)c1ccc(Cl)cc1)c1ccc(Cl)cc1.Cl.
What is the InChIKey of 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride?
The InChIKey is TVGJZCYNOJIRHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N5.ClH/c1-11(13-3-7-15(18)8-4-13)21-23-17(20)24-22-12(2)14-5-9-16(19)10-6-14;/h3-10H,1-2H3,(H3,20,23,24);1H.
What are the key properties of 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride?
1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride has a molecular weight of 398.73 g/mol, XLogP of 4.47, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[1-(4-chlorophenyl)ethylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 74961259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).