1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride

C19H20Cl5N5O2 — CID 70634143

IUPAC1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCCOc1cc(Cl)c(Cl)cc1C=NN=C(N)NN=Cc1cc(Cl)c(Cl)cc1OCC.Cl
InChIInChI=1S/C19H19Cl4N5O2.ClH/c1-3-29-17-7-15(22)13(20)5-11(17)9-25-27-19(24)28-26-10-12-6-14(21)16(23)8-18(12)30-4-2;/h5-10H,3-4H2,1-2H3,(H3,24,27,28);1H
InChIKeyGWXJIOWZSIODNC-UHFFFAOYSA-N
MW527.67 g/mol
LogP5.79
Rot. Bonds8

About 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride

1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride (PubChem CID 70634143) has the molecular formula C19H20Cl5N5O2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride.

Molecular Properties

Compound Name1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
PubChem CID70634143
Molecular FormulaC19H20Cl5N5O2
Molecular Weight527.67 g/mol
Exact Mass525.01
IUPAC Name1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
SMILESCCOc1cc(Cl)c(Cl)cc1C=NN=C(N)NN=Cc1cc(Cl)c(Cl)cc1OCC.Cl
InChIInChI=1S/C19H19Cl4N5O2.ClH/c1-3-29-17-7-15(22)13(20)5-11(17)9-25-27-19(24)28-26-10-12-6-14(21)16(23)8-18(12)30-4-2;/h5-10H,3-4H2,1-2H3,(H3,24,27,28);1H
InChIKeyGWXJIOWZSIODNC-UHFFFAOYSA-N
XLogP5.79
TPSA93.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500527.67
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine
CID 54010609
1,2-bis[(E)-(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrobromide
CID 173454051
1,2-bis[(2,4-dichlorophenyl)methylideneamino]guanidine;hydrochloride
CID 140813801
1,2-bis[(E)-(4-chloro-2-fluorophenyl)methylideneamino]guanidine;hydrochloride
CID 172935906
2-[(2-chloro-4-ethoxy-5-methoxyphenyl)methylideneamino]guanidine
CID 168592621
2-[(E)-(2-chloro-3,4,5-triethoxyphenyl)methylideneamino]-1-hydroxyguanidine
CID 173223391
1,2-bis[(4-ethoxyphenyl)methylideneamino]guanidine;hydrochloride
CID 157053375
1,2-bis[(2-amino-4-chlorophenyl)methylideneamino]guanidine;hydrochloride
CID 131746622
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]urea
CID 5426098
[(Z)-(5-chloro-2-ethoxyphenyl)methylideneamino]thiourea
CID 5412812
1,2-bis[(E)-(2-amino-4-chlorophenyl)methylideneamino]guanidine
CID 86279330
2-[4-[(carbamothioylhydrazinylidene)methyl]-5-chloro-2-ethoxyphenoxy]acetic acid
CID 168535799

Frequently Asked Questions

What is the IUPAC name of 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The IUPAC name of 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride (CID 70634143) is 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride.
What is the SMILES notation for 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The canonical SMILES for 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride is CCOc1cc(Cl)c(Cl)cc1C=NN=C(N)NN=Cc1cc(Cl)c(Cl)cc1OCC.Cl.
What is the InChIKey of 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
The InChIKey is GWXJIOWZSIODNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19Cl4N5O2.ClH/c1-3-29-17-7-15(22)13(20)5-11(17)9-25-27-19(24)28-26-10-12-6-14(21)16(23)8-18(12)30-4-2;/h5-10H,3-4H2,1-2H3,(H3,24,27,28);1H.
What are the key properties of 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride?
1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride has a molecular weight of 527.67 g/mol, XLogP of 5.79, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-bis[(4,5-dichloro-2-ethoxyphenyl)methylideneamino]guanidine;hydrochloride is sourced from PubChem (CID 70634143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).