1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine

C19H22N4O — CID 119120151

IUPAC1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCN2C(=O)Cc3ccccc32)cc1C
InChIInChI=1S/C19H22N4O/c1-13-7-8-16(11-14(13)2)22-19(20)21-9-10-23-17-6-4-3-5-15(17)12-18(23)24/h3-8,11H,9-10,12H2,1-2H3,(H3,20,21,22)
InChIKeyZILDFCSFUPNBCS-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.62
Rot. Bonds4

About 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine

1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine (PubChem CID 119120151) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine.

Molecular Properties

Compound Name1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine
PubChem CID119120151
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC Name1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine
SMILESCc1ccc(N/C(N)=N/CCN2C(=O)Cc3ccccc32)cc1C
InChIInChI=1S/C19H22N4O/c1-13-7-8-16(11-14(13)2)22-19(20)21-9-10-23-17-6-4-3-5-15(17)12-18(23)24/h3-8,11H,9-10,12H2,1-2H3,(H3,20,21,22)
InChIKeyZILDFCSFUPNBCS-UHFFFAOYSA-N
XLogP2.62
TPSA70.72 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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-(3,4-dimethylphenyl)-2-[3-(3-oxo-1,4-benzoxazin-4-yl)propyl]guanidine;hydroiodide
CID 111818985
2-[2-(2-oxo-3H-indol-1-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-1-yl)guanidine
CID 119142363
1-(3,4-dimethylphenyl)-2-[4-(1,3-dioxoisoindol-2-yl)butyl]guanidine
CID 111810630
3,4-dimethyl-N-[2-(2-oxo-3H-indol-1-yl)ethyl]benzamide
CID 110730027
1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-benzimidazol-1-yl)ethyl]guanidine
CID 111824835
1-(3,4-dimethylphenyl)-2-(2-pyrazol-1-ylethyl)guanidine;hydroiodide
CID 111074814
2-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111098133
1-(3,4-dimethylphenyl)-2-[2-(2-methylbenzimidazol-1-yl)ethyl]guanidine
CID 111034361
2-[2-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)ethyl]-1-(3,4-dimethylphenyl)guanidine
CID 111078789
1-(3,4-dimethylphenyl)-2-(2-sulfamoylethyl)guanidine;hydroiodide
CID 111046592
2-(2-cyclopropylethyl)-1-(3,4-dimethylphenyl)guanidine;hydroiodide
CID 111814605
1-(3,4-dimethylphenyl)-2-(3-phenoxypropyl)guanidine
CID 111036910

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine?
The IUPAC name of 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine (CID 119120151) is 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine.
What is the SMILES notation for 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine?
The canonical SMILES for 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine is Cc1ccc(N/C(N)=N/CCN2C(=O)Cc3ccccc32)cc1C.
What is the InChIKey of 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine?
The InChIKey is ZILDFCSFUPNBCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-13-7-8-16(11-14(13)2)22-19(20)21-9-10-23-17-6-4-3-5-15(17)12-18(23)24/h3-8,11H,9-10,12H2,1-2H3,(H3,20,21,22).
What are the key properties of 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine?
1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine has a molecular weight of 322.41 g/mol, XLogP of 2.62, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylphenyl)-2-[2-(2-oxo-3H-indol-1-yl)ethyl]guanidine is sourced from PubChem (CID 119120151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).