2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole

C18H20N2O — CID 82249041

IUPAC2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(C)c(Oc2ccccc2C2=NCCN2)c1C
InChIInChI=1S/C18H20N2O/c1-12-8-9-13(2)17(14(12)3)21-16-7-5-4-6-15(16)18-19-10-11-20-18/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyYKZQKSPSFBFFHO-UHFFFAOYSA-N
MW280.37 g/mol
LogP3.75
Rot. Bonds3

About 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole

2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82249041) has the molecular formula C18H20N2O and a molecular weight of 280.37 g/mol. Its IUPAC name is 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82249041
Molecular FormulaC18H20N2O
Molecular Weight280.37 g/mol
Exact Mass280.16
IUPAC Name2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCc1ccc(C)c(Oc2ccccc2C2=NCCN2)c1C
InChIInChI=1S/C18H20N2O/c1-12-8-9-13(2)17(14(12)3)21-16-7-5-4-6-15(16)18-19-10-11-20-18/h4-9H,10-11H2,1-3H3,(H,19,20)
InChIKeyYKZQKSPSFBFFHO-UHFFFAOYSA-N
XLogP3.75
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4,5-dihydro-1H-imidazol-2-yl)phenoxy]propanoic acid
CID 82243185
2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82239924
2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 131884841
2-[2-(3-phenoxypropoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82251671
2-[2-[(2-methylpropan-2-yl)oxy]phenyl]-1,4,5,6-tetrahydropyrimidine
CID 82242953
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82247905
2-[2-[(4-bromophenyl)methoxy]phenyl]-4,5-dihydro-1H-imidazole
CID 82240374
8-[[3-(4,5-dihydro-1H-imidazol-2-yl)-2-pyridinyl]oxy]quinoline
CID 82250675
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
4-(4,5-dihydro-1H-imidazol-2-yl)quinoline
CID 119086325
5,7-dimethyl-6-(2-phenylphenoxy)-2,3-dihydro-1H-1,4-diazepine
CID 4073968
2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole (CID 82249041) is 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole is Cc1ccc(C)c(Oc2ccccc2C2=NCCN2)c1C.
What is the InChIKey of 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is YKZQKSPSFBFFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O/c1-12-8-9-13(2)17(14(12)3)21-16-7-5-4-6-15(16)18-19-10-11-20-18/h4-9H,10-11H2,1-3H3,(H,19,20).
What are the key properties of 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole?
2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 280.37 g/mol, XLogP of 3.75, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82249041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).