2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole

C14H20N2O — CID 58951787

IUPAC2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C(C)C2=NCCN2)c(C)c1C
InChIInChI=1S/C14H20N2O/c1-9-10(2)13(17-4)6-5-12(9)11(3)14-15-7-8-16-14/h5-6,11H,7-8H2,1-4H3,(H,15,16)
InChIKeyLCKGITYYCQPOSW-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.42
Rot. Bonds3

About 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole

2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 58951787) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID58951787
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(C(C)C2=NCCN2)c(C)c1C
InChIInChI=1S/C14H20N2O/c1-9-10(2)13(17-4)6-5-12(9)11(3)14-15-7-8-16-14/h5-6,11H,7-8H2,1-4H3,(H,15,16)
InChIKeyLCKGITYYCQPOSW-UHFFFAOYSA-N
XLogP2.42
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole (CID 58951787) is 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole is COc1ccc(C(C)C2=NCCN2)c(C)c1C.
What is the InChIKey of 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is LCKGITYYCQPOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-9-10(2)13(17-4)6-5-12(9)11(3)14-15-7-8-16-14/h5-6,11H,7-8H2,1-4H3,(H,15,16).
What are the key properties of 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole?
2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 232.33 g/mol, XLogP of 2.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-methoxy-2,3-dimethylphenyl)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 58951787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).