5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole

C65H81FN8O3 — CID 159896475

IUPAC5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole
SMILESCCOc1cc(CC)c(Cc2cnc[nH]2)c(CC)c1.CCOc1ccc(CC)c(Cc2cnc[nH]2)c1CC.CCc1cc(OCc2ccccc2)cc(CC)c1Cc1cnc[nH]1.CCc1cccc(F)c1Cc1cnc[nH]1
InChIInChI=1S/C21H24N2O.2C16H22N2O.C12H13FN2/c1-3-17-10-20(24-14-16-8-6-5-7-9-16)11-18(4-2)21(17)12-19-13-22-15-23-19;1-4-12-7-15(19-6-3)8-13(5-2)16(12)9-14-10-17-11-18-14;1-4-12-7-8-16(19-6-3)14(5-2)15(12)9-13-10-17-11-18-13;1-2-9-4-3-5-12(13)11(9)6-10-7-14-8-15-10/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,22,23);2*7-8,10-11H,4-6,9H2,1-3H3,(H,17,18);3-5,7-8H,2,6H2,1H3,(H,14,15)
InChIKeyNVKDIGWSPMRXSR-UHFFFAOYSA-N
MW1041.41 g/mol
LogP14.45
Rot. Bonds22

About 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole

5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole (PubChem CID 159896475) has the molecular formula C65H81FN8O3 and a molecular weight of 1041.41 g/mol. Its IUPAC name is 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole.

Molecular Properties

Compound Name5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole
PubChem CID159896475
Molecular FormulaC65H81FN8O3
Molecular Weight1041.41 g/mol
Exact Mass1040.64
IUPAC Name5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole
SMILESCCOc1cc(CC)c(Cc2cnc[nH]2)c(CC)c1.CCOc1ccc(CC)c(Cc2cnc[nH]2)c1CC.CCc1cc(OCc2ccccc2)cc(CC)c1Cc1cnc[nH]1.CCc1cccc(F)c1Cc1cnc[nH]1
InChIInChI=1S/C21H24N2O.2C16H22N2O.C12H13FN2/c1-3-17-10-20(24-14-16-8-6-5-7-9-16)11-18(4-2)21(17)12-19-13-22-15-23-19;1-4-12-7-15(19-6-3)8-13(5-2)16(12)9-14-10-17-11-18-14;1-4-12-7-8-16(19-6-3)14(5-2)15(12)9-13-10-17-11-18-13;1-2-9-4-3-5-12(13)11(9)6-10-7-14-8-15-10/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,22,23);2*7-8,10-11H,4-6,9H2,1-3H3,(H,17,18);3-5,7-8H,2,6H2,1H3,(H,14,15)
InChIKeyNVKDIGWSPMRXSR-UHFFFAOYSA-N
XLogP14.45
TPSA142.41 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001041.41
LogP ≤ 514.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole?
The IUPAC name of 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole (CID 159896475) is 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole.
What is the SMILES notation for 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole?
The canonical SMILES for 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole is CCOc1cc(CC)c(Cc2cnc[nH]2)c(CC)c1.CCOc1ccc(CC)c(Cc2cnc[nH]2)c1CC.CCc1cc(OCc2ccccc2)cc(CC)c1Cc1cnc[nH]1.CCc1cccc(F)c1Cc1cnc[nH]1.
What is the InChIKey of 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole?
The InChIKey is NVKDIGWSPMRXSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O.2C16H22N2O.C12H13FN2/c1-3-17-10-20(24-14-16-8-6-5-7-9-16)11-18(4-2)21(17)12-19-13-22-15-23-19;1-4-12-7-15(19-6-3)8-13(5-2)16(12)9-14-10-17-11-18-14;1-4-12-7-8-16(19-6-3)14(5-2)15(12)9-13-10-17-11-18-13;1-2-9-4-3-5-12(13)11(9)6-10-7-14-8-15-10/h5-11,13,15H,3-4,12,14H2,1-2H3,(H,22,23);2*7-8,10-11H,4-6,9H2,1-3H3,(H,17,18);3-5,7-8H,2,6H2,1H3,(H,14,15).
What are the key properties of 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole?
5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole has a molecular weight of 1041.41 g/mol, XLogP of 14.45, 22 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,6-diethyl-4-phenylmethoxyphenyl)methyl]-1H-imidazole;5-[(3-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(4-ethoxy-2,6-diethylphenyl)methyl]-1H-imidazole;5-[(2-ethyl-6-fluorophenyl)methyl]-1H-imidazole is sourced from PubChem (CID 159896475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).