methyl 4-(2,3-dimethylphenyl)benzenecarboximidate

C16H17NO — CID 82292503

IUPACmethyl 4-(2,3-dimethylphenyl)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(-c2cccc(C)c2C)cc1
InChIInChI=1S/C16H17NO/c1-11-5-4-6-15(12(11)2)13-7-9-14(10-8-13)16(17)18-3/h4-10,17H,1-3H3/b17-16-
InChIKeyQWPJCVSBMUFSND-MSUUIHNZSA-N
MW239.32 g/mol
LogP3.94
Rot. Bonds2

About methyl 4-(2,3-dimethylphenyl)benzenecarboximidate

methyl 4-(2,3-dimethylphenyl)benzenecarboximidate (PubChem CID 82292503) has the molecular formula C16H17NO and a molecular weight of 239.32 g/mol. Its IUPAC name is methyl 4-(2,3-dimethylphenyl)benzenecarboximidate.

Molecular Properties

Compound Namemethyl 4-(2,3-dimethylphenyl)benzenecarboximidate
PubChem CID82292503
Molecular FormulaC16H17NO
Molecular Weight239.32 g/mol
Exact Mass239.13
IUPAC Namemethyl 4-(2,3-dimethylphenyl)benzenecarboximidate
SMILES[H]/N=C(\OC)c1ccc(-c2cccc(C)c2C)cc1
InChIInChI=1S/C16H17NO/c1-11-5-4-6-15(12(11)2)13-7-9-14(10-8-13)16(17)18-3/h4-10,17H,1-3H3/b17-16-
InChIKeyQWPJCVSBMUFSND-MSUUIHNZSA-N
XLogP3.94
TPSA33.08 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.94
H-Bond Donors ≤ 51
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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Frequently Asked Questions

What is the IUPAC name of methyl 4-(2,3-dimethylphenyl)benzenecarboximidate?
The IUPAC name of methyl 4-(2,3-dimethylphenyl)benzenecarboximidate (CID 82292503) is methyl 4-(2,3-dimethylphenyl)benzenecarboximidate.
What is the SMILES notation for methyl 4-(2,3-dimethylphenyl)benzenecarboximidate?
The canonical SMILES for methyl 4-(2,3-dimethylphenyl)benzenecarboximidate is [H]/N=C(\OC)c1ccc(-c2cccc(C)c2C)cc1.
What is the InChIKey of methyl 4-(2,3-dimethylphenyl)benzenecarboximidate?
The InChIKey is QWPJCVSBMUFSND-MSUUIHNZSA-N. The full InChI is InChI=1S/C16H17NO/c1-11-5-4-6-15(12(11)2)13-7-9-14(10-8-13)16(17)18-3/h4-10,17H,1-3H3/b17-16-.
What are the key properties of methyl 4-(2,3-dimethylphenyl)benzenecarboximidate?
methyl 4-(2,3-dimethylphenyl)benzenecarboximidate has a molecular weight of 239.32 g/mol, XLogP of 3.94, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2,3-dimethylphenyl)benzenecarboximidate is sourced from PubChem (CID 82292503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).