1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine

C15H18Cl2N4O — CID 119130614

IUPAC1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccc(Cl)cc1Cl)NCc1c(C)noc1C
InChIInChI=1S/C15H18Cl2N4O/c1-9-13(10(2)22-21-9)8-20-15(18-3)19-7-11-4-5-12(16)6-14(11)17/h4-6H,7-8H2,1-3H3,(H2,18,19,20)
InChIKeyFFBCXLJDDRXBKT-UHFFFAOYSA-N
MW341.24 g/mol
LogP3.46
Rot. Bonds4

About 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine

1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine (PubChem CID 119130614) has the molecular formula C15H18Cl2N4O and a molecular weight of 341.24 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine
PubChem CID119130614
Molecular FormulaC15H18Cl2N4O
Molecular Weight341.24 g/mol
Exact Mass340.09
IUPAC Name1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine
SMILESC/N=C(/NCc1ccc(Cl)cc1Cl)NCc1c(C)noc1C
InChIInChI=1S/C15H18Cl2N4O/c1-9-13(10(2)22-21-9)8-20-15(18-3)19-7-11-4-5-12(16)6-14(11)17/h4-6H,7-8H2,1-3H3,(H2,18,19,20)
InChIKeyFFBCXLJDDRXBKT-UHFFFAOYSA-N
XLogP3.46
TPSA62.45 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.24
LogP ≤ 53.46
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'}

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Related Compounds

1-[(2,4-dichlorophenyl)methyl]-3-ethyl-2-methylguanidine;hydroiodide
CID 111197785
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]guanidine
CID 111584552
1-[(2,4-dichlorophenyl)methyl]-2,3-dimethylguanidine;hydroiodide
CID 110893037
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-[3-(3-methyl-1,2,4-oxadiazol-5-yl)propyl]guanidine;hydroiodide
CID 111197845
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-(thiophen-2-ylmethyl)guanidine
CID 111197476
1-[(2,4-dichlorophenyl)methyl]-2-methyl-3-[2-(4-methylpyrazol-1-yl)ethyl]guanidine
CID 111762653
1-(cyclopropylmethyl)-3-[(2,4-dichlorophenyl)methyl]-2-methylguanidine
CID 111197584
4-[[[N-[(2,4-dichlorophenyl)methyl]-N'-methylcarbamimidoyl]amino]methyl]benzamide
CID 111197674
1-[1-(5-chloro-2-methoxyphenyl)pyrrolidin-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine
CID 119150420
1-[(2,4-dichlorophenyl)methyl]-3-[2-(dimethylamino)-2-methylpropyl]-2-methylguanidine
CID 111197818
1-[(2,4-dichlorophenyl)methyl]-3-[(5-ethyl-1,3-thiazol-2-yl)methyl]-2-methylguanidine;hydroiodide
CID 111512167
1-(cyclopropylmethyl)-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine;hydroiodide
CID 119149389

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine (CID 119130614) is 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine is C/N=C(/NCc1ccc(Cl)cc1Cl)NCc1c(C)noc1C.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine?
The InChIKey is FFBCXLJDDRXBKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18Cl2N4O/c1-9-13(10(2)22-21-9)8-20-15(18-3)19-7-11-4-5-12(16)6-14(11)17/h4-6H,7-8H2,1-3H3,(H2,18,19,20).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine?
1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine has a molecular weight of 341.24 g/mol, XLogP of 3.46, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylguanidine is sourced from PubChem (CID 119130614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).