2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole

C14H20N2O — CID 82289819

IUPAC2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(C)c(OCCC2=NCCN2)cc1C
InChIInChI=1S/C14H20N2O/c1-10-8-12(3)13(9-11(10)2)17-7-4-14-15-5-6-16-14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyFOTJYCYSULGHGR-UHFFFAOYSA-N
MW232.33 g/mol
LogP2.38
Rot. Bonds4

About 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole

2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole (PubChem CID 82289819) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
PubChem CID82289819
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole
SMILESCc1cc(C)c(OCCC2=NCCN2)cc1C
InChIInChI=1S/C14H20N2O/c1-10-8-12(3)13(9-11(10)2)17-7-4-14-15-5-6-16-14/h8-9H,4-7H2,1-3H3,(H,15,16)
InChIKeyFOTJYCYSULGHGR-UHFFFAOYSA-N
XLogP2.38
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethyl]-4,5-dihydro-1H-imidazole
CID 95450542
2-[2-(2-(111C)methylphenyl)ethyl]-4,5-dihydro-1H-imidazole
CID 56935582
1-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5,6-dimethylbenzimidazole;dihydrochloride
CID 90664843
1-(3-bromopropoxy)-2,4,5-trimethylbenzene
CID 82089154
2-(3-hydroperoxypropyl)-4,5-dihydro-1H-imidazole
CID 173419263
ethyl 3-[2-(4,5-dihydro-1H-imidazol-2-yl)ethoxy]propanoate
CID 54154131
2-[(3,5-dimethoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 71404403
3-(4,5-dihydro-1H-imidazol-2-yl)propyl-trimethoxysilane
CID 18944736
2-[4-[3-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]propoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664413
2-[4-[4-[4-(4,5-dihydro-1H-imidazol-2-yl)-2-methoxyphenoxy]butoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole;dihydrochloride
CID 90664911
2,6-dichloro-4-(4,5-dihydro-1H-imidazol-2-ylmethoxy)aniline;dihydrochloride
CID 159061331
3-(4,5-dihydro-1H-imidazol-2-yl)propyl-triethoxy-λ4-sulfane
CID 150600859

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole (CID 82289819) is 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole is Cc1cc(C)c(OCCC2=NCCN2)cc1C.
What is the InChIKey of 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is FOTJYCYSULGHGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10-8-12(3)13(9-11(10)2)17-7-4-14-15-5-6-16-14/h8-9H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole?
2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 232.33 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,4,5-trimethylphenoxy)ethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82289819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).