2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride

C18H23Cl4N5O2 — CID 176541548

IUPAC2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride
SMILESCl.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C12H7Cl3O2.C6H15N5.ClH/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-2-3-4-10-6(9)11-5(7)8;/h1-6,16H;2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyVOWCDGNNTXMPMY-UHFFFAOYSA-N
MW483.23 g/mol
LogP5.15
Rot. Bonds5

About 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride

2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride (PubChem CID 176541548) has the molecular formula C18H23Cl4N5O2 and a molecular weight of 483.23 g/mol. Its IUPAC name is 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride.

Molecular Properties

Compound Name2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride
PubChem CID176541548
Molecular FormulaC18H23Cl4N5O2
Molecular Weight483.23 g/mol
Exact Mass481.06
IUPAC Name2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride
SMILESCl.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.[H]/N=C(\N)N/C(N)=N/CCCC
InChIInChI=1S/C12H7Cl3O2.C6H15N5.ClH/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-2-3-4-10-6(9)11-5(7)8;/h1-6,16H;2-4H2,1H3,(H6,7,8,9,10,11);1H
InChIKeyVOWCDGNNTXMPMY-UHFFFAOYSA-N
XLogP5.15
TPSA129.74 Ų
H-Bond Donors5
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.23
LogP ≤ 55.15
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

2-butyl-1-carbamimidoylguanidine;hydrogen peroxide;hydrochloride
CID 176535329
benzene-1,3-diamine;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176543735
5-chloro-2-(2,4-dichlorophenoxy)phenol;ethanol
CID 67724550
acetyl chloride;2-butyl-1-carbamimidoylguanidine;hydrochloride
CID 176521105
2-butyl-1-carbamimidoylguanidine;nitric acid;hydrochloride
CID 176536553
2-butyl-1-carbamimidoylguanidine;cyanic acid;hydrochloride
CID 176524968
CID 176522224
CID 176522224
2-butyl-1-carbamimidoylguanidine;dihydroxy(dioxo)chromium;hydrochloride
CID 176527980
5-butyl-2-(2,4-dichlorophenoxy)phenol
CID 25023960
1-carbamimidoyl-2-hexylguanidine
CID 176518657
2-butyl-1-carbamimidoylguanidine;oxetane;hydrochloride
CID 176532485
2-butyl-1-carbamimidoylguanidine;2-phenylethanol;hydrochloride
CID 176531380

Frequently Asked Questions

What is the IUPAC name of 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride?
The IUPAC name of 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride (CID 176541548) is 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride.
What is the SMILES notation for 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride?
The canonical SMILES for 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride is Cl.Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl.[H]/N=C(\N)N/C(N)=N/CCCC.
What is the InChIKey of 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride?
The InChIKey is VOWCDGNNTXMPMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl3O2.C6H15N5.ClH/c13-7-1-3-11(9(15)5-7)17-12-4-2-8(14)6-10(12)16;1-2-3-4-10-6(9)11-5(7)8;/h1-6,16H;2-4H2,1H3,(H6,7,8,9,10,11);1H.
What are the key properties of 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride?
2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride has a molecular weight of 483.23 g/mol, XLogP of 5.15, 5 rotatable bonds, 5 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-1-carbamimidoylguanidine;5-chloro-2-(2,4-dichlorophenoxy)phenol;hydrochloride is sourced from PubChem (CID 176541548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).