2-[(4-hexoxyphenyl)methyl]-1H-imidazole

C16H22N2O — CID 70637422

IUPAC2-[(4-hexoxyphenyl)methyl]-1H-imidazole
SMILESCCCCCCOc1ccc(Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H22N2O/c1-2-3-4-5-12-19-15-8-6-14(7-9-15)13-16-17-10-11-18-16/h6-11H,2-5,12-13H2,1H3,(H,17,18)
InChIKeyGBBSBEFPASRVJB-UHFFFAOYSA-N
MW258.37 g/mol
LogP3.96
Rot. Bonds8

About 2-[(4-hexoxyphenyl)methyl]-1H-imidazole

2-[(4-hexoxyphenyl)methyl]-1H-imidazole (PubChem CID 70637422) has the molecular formula C16H22N2O and a molecular weight of 258.37 g/mol. Its IUPAC name is 2-[(4-hexoxyphenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name2-[(4-hexoxyphenyl)methyl]-1H-imidazole
PubChem CID70637422
Molecular FormulaC16H22N2O
Molecular Weight258.37 g/mol
Exact Mass258.17
IUPAC Name2-[(4-hexoxyphenyl)methyl]-1H-imidazole
SMILESCCCCCCOc1ccc(Cc2ncc[nH]2)cc1
InChIInChI=1S/C16H22N2O/c1-2-3-4-5-12-19-15-8-6-14(7-9-15)13-16-17-10-11-18-16/h6-11H,2-5,12-13H2,1H3,(H,17,18)
InChIKeyGBBSBEFPASRVJB-UHFFFAOYSA-N
XLogP3.96
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.37
LogP ≤ 53.96
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

2-(nonoxymethyl)-1H-imidazole
CID 131844206
2-[6-(4-octoxyphenyl)octyl]-1H-imidazole
CID 57196263
1,4-di(tetradecoxy)benzene
CID 57023723
1,4-di(pentacontoxy)benzene
CID 88721659
2-[(4-tetradecoxyphenyl)methyl]-4,5-dihydro-1H-imidazole
CID 11574302
1,4-dipentoxybenzene
CID 18314717
2-dodecyl-1H-imidazole
CID 22019838
1-hexoxy-4-pentylbenzene
CID 54277450
1-nonoxy-4-propylbenzene
CID 118632119
2-decyl-1H-imidazole
CID 3089145
3-[[4-[3-(dimethylamino)propoxy]phenyl]methylidene]-6-[[4-(1H-imidazol-2-ylmethyl)phenyl]methylidene]piperazine-2,5-dione
CID 67581524
1-(chloromethyl)-4-octadecoxybenzene
CID 11463563

Frequently Asked Questions

What is the IUPAC name of 2-[(4-hexoxyphenyl)methyl]-1H-imidazole?
The IUPAC name of 2-[(4-hexoxyphenyl)methyl]-1H-imidazole (CID 70637422) is 2-[(4-hexoxyphenyl)methyl]-1H-imidazole.
What is the SMILES notation for 2-[(4-hexoxyphenyl)methyl]-1H-imidazole?
The canonical SMILES for 2-[(4-hexoxyphenyl)methyl]-1H-imidazole is CCCCCCOc1ccc(Cc2ncc[nH]2)cc1.
What is the InChIKey of 2-[(4-hexoxyphenyl)methyl]-1H-imidazole?
The InChIKey is GBBSBEFPASRVJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O/c1-2-3-4-5-12-19-15-8-6-14(7-9-15)13-16-17-10-11-18-16/h6-11H,2-5,12-13H2,1H3,(H,17,18).
What are the key properties of 2-[(4-hexoxyphenyl)methyl]-1H-imidazole?
2-[(4-hexoxyphenyl)methyl]-1H-imidazole has a molecular weight of 258.37 g/mol, XLogP of 3.96, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-hexoxyphenyl)methyl]-1H-imidazole is sourced from PubChem (CID 70637422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).