2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole

C15H20N2O — CID 69234640

IUPAC2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(CCOCc2ccccc2)[nH]1
InChIInChI=1S/C15H20N2O/c1-12(2)14-10-16-15(17-14)8-9-18-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,16,17)
InChIKeyRJUAFOAAYBGIAZ-UHFFFAOYSA-N
MW244.34 g/mol
LogP3.29
Rot. Bonds6

About 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole

2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole (PubChem CID 69234640) has the molecular formula C15H20N2O and a molecular weight of 244.34 g/mol. Its IUPAC name is 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole
PubChem CID69234640
Molecular FormulaC15H20N2O
Molecular Weight244.34 g/mol
Exact Mass244.16
IUPAC Name2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(CCOCc2ccccc2)[nH]1
InChIInChI=1S/C15H20N2O/c1-12(2)14-10-16-15(17-14)8-9-18-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,16,17)
InChIKeyRJUAFOAAYBGIAZ-UHFFFAOYSA-N
XLogP3.29
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.34
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-phenyl-2-(5-propan-2-yl-1H-imidazol-2-yl)ethanone
CID 22258161
1,3,5-tris[5-[3,5-bis[5-[3,5-bis(5-phenylmethoxypentoxy)phenoxy]pentoxy]phenoxy]pentoxy]benzene
CID 134929469
2,4,6-tris(4-phenylmethoxybutoxy)-1,3,5-triazine
CID 139880669
(2R)-6-phenylmethoxyhexan-2-ol
CID 50901799
butoxymethylbenzene;ethane
CID 145341806
(3-methyl-4-phenylbutoxy)methylbenzene
CID 86049172
1-(2-phenylmethoxyethoxy)ethanol
CID 121292346
3-methyl-6-phenylmethoxyhexan-2-amine
CID 130588586
2-(2-phenylmethoxyethyl)-1,3-thiazole
CID 131048926
(6-bromo-5-methylhexoxy)methylbenzene
CID 130588716
CID 135072991
CID 135072991
ethane;phenylmethoxymethylbenzene
CID 90943549

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole (CID 69234640) is 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole is CC(C)c1cnc(CCOCc2ccccc2)[nH]1.
What is the InChIKey of 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole?
The InChIKey is RJUAFOAAYBGIAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O/c1-12(2)14-10-16-15(17-14)8-9-18-11-13-6-4-3-5-7-13/h3-7,10,12H,8-9,11H2,1-2H3,(H,16,17).
What are the key properties of 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole?
2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole has a molecular weight of 244.34 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylmethoxyethyl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 69234640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).