2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole

C12H13F3N2O2 — CID 82247905

IUPAC2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(C2=NCCN2)c1OCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-18-9-4-2-3-8(11-16-5-6-17-11)10(9)19-7-12(13,14)15/h2-4H,5-7H2,1H3,(H,16,17)
InChIKeyWBOKCOQZRVZUPC-UHFFFAOYSA-N
MW274.24 g/mol
LogP1.99
Rot. Bonds4

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

2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole (PubChem CID 82247905) has the molecular formula C12H13F3N2O2 and a molecular weight of 274.24 g/mol. Its IUPAC name is 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
PubChem CID82247905
Molecular FormulaC12H13F3N2O2
Molecular Weight274.24 g/mol
Exact Mass274.09
IUPAC Name2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1cccc(C2=NCCN2)c1OCC(F)(F)F
InChIInChI=1S/C12H13F3N2O2/c1-18-9-4-2-3-8(11-16-5-6-17-11)10(9)19-7-12(13,14)15/h2-4H,5-7H2,1H3,(H,16,17)
InChIKeyWBOKCOQZRVZUPC-UHFFFAOYSA-N
XLogP1.99
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.24
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(2,6-dichlorophenyl)methoxy]-3-methoxyphenyl]-4,5-dihydro-1H-imidazole
CID 82252922
2-[2-[(2,6-dimethoxyphenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252949
2-[2-[(2-chloro-6-fluorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82252897
2-[2-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]-1,4,5,6-tetrahydropyrimidine
CID 82240364
N,N-diethyl-2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]acetamide
CID 82240097
2-[3-methoxy-2-(2-nitrophenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82239924
2-(2-butan-2-yloxy-3-methoxyphenyl)-1,4,5,6-tetrahydropyrimidine
CID 82246354
2-[2-methoxy-6-(1,4,5,6-tetrahydropyrimidin-2-yl)phenoxy]-N-phenylacetamide
CID 82252786
2-[2-(methoxymethyl)phenyl]-4,5-dihydro-1H-imidazole
CID 82241061
2-(2-butoxyphenyl)-4,5-dihydro-1H-imidazole;hydrobromide
CID 131884841
2-[2-[2-(2,5-dimethoxyphenyl)ethyl]phenyl]-4,5-dihydro-1H-imidazole
CID 11536881
2-[2-(2,3,6-trimethylphenoxy)phenyl]-4,5-dihydro-1H-imidazole
CID 82249041

Frequently Asked Questions

What is the IUPAC name of 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole (CID 82247905) is 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole is COc1cccc(C2=NCCN2)c1OCC(F)(F)F.
What is the InChIKey of 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is WBOKCOQZRVZUPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13F3N2O2/c1-18-9-4-2-3-8(11-16-5-6-17-11)10(9)19-7-12(13,14)15/h2-4H,5-7H2,1H3,(H,16,17).
What are the key properties of 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole?
2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 274.24 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-methoxy-2-(2,2,2-trifluoroethoxy)phenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 82247905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).