2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane

C182H279N17O3S2 — CID 161231423

IUPAC2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC(C)c1cc(Cc2ccccc2)no1.CCc1[nH]c(Cc2ccccc2)nc1C(C)C.CCc1nc(Cc2ccccc2)cn1C(C)C.CCc1nc(Cc2ccccc2)oc1C(C)C.CCc1nc(Cc2ccccc2)oc1C(C)C.CCc1nc(Cc2ccccc2)sc1C(C)C.CCc1nc(Cc2ccccc2)sc1C(C)C.CCc1nn(Cc2ccccc2)cc1C(C)C.CCc1nn(Cc2ccccc2)cc1C(C)C.CCn1nc(Cc2ccccc2)cc1C(C)C.CCn1nc(Cc2ccccc2)cc1C(C)C
InChIInChI=1S/6C15H20N2.2C15H19NO.2C15H19NS.C13H15NO.4C2H6.11CH4/c2*1-4-15-14(12(2)3)11-17(16-15)10-13-8-6-5-7-9-13;2*1-4-17-15(12(2)3)11-14(16-17)10-13-8-6-5-7-9-13;1-4-15-16-14(11-17(15)12(2)3)10-13-8-6-5-7-9-13;5*1-4-13-15(11(2)3)17-14(16-13)10-12-8-6-5-7-9-12;1-10(2)13-9-12(14-15-13)8-11-6-4-3-5-7-11;4*1-2;;;;;;;;;;;/h5*5-9,11-12H,4,10H2,1-3H3;5-9,11H,4,10H2,1-3H3,(H,16,17);4*5-9,11H,4,10H2,1-3H3;3-7,9-10H,8H2,1-2H3;4*1-2H3;11*1H4
InChIKeyUYUKMXIYFULGIV-UHFFFAOYSA-N
MW2817.48 g/mol
LogP53.00
Rot. Bonds43

About 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane

2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane (PubChem CID 161231423) has the molecular formula C182H279N17O3S2 and a molecular weight of 2817.48 g/mol. Its IUPAC name is 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane.

Molecular Properties

Compound Name2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane
PubChem CID161231423
Molecular FormulaC182H279N17O3S2
Molecular Weight2817.48 g/mol
Exact Mass2815.16
IUPAC Name2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane
SMILESC.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC(C)c1cc(Cc2ccccc2)no1.CCc1[nH]c(Cc2ccccc2)nc1C(C)C.CCc1nc(Cc2ccccc2)cn1C(C)C.CCc1nc(Cc2ccccc2)oc1C(C)C.CCc1nc(Cc2ccccc2)oc1C(C)C.CCc1nc(Cc2ccccc2)sc1C(C)C.CCc1nc(Cc2ccccc2)sc1C(C)C.CCc1nn(Cc2ccccc2)cc1C(C)C.CCc1nn(Cc2ccccc2)cc1C(C)C.CCn1nc(Cc2ccccc2)cc1C(C)C.CCn1nc(Cc2ccccc2)cc1C(C)C
InChIInChI=1S/6C15H20N2.2C15H19NO.2C15H19NS.C13H15NO.4C2H6.11CH4/c2*1-4-15-14(12(2)3)11-17(16-15)10-13-8-6-5-7-9-13;2*1-4-17-15(12(2)3)11-14(16-17)10-13-8-6-5-7-9-13;1-4-15-16-14(11-17(15)12(2)3)10-13-8-6-5-7-9-13;5*1-4-13-15(11(2)3)17-14(16-13)10-12-8-6-5-7-9-12;1-10(2)13-9-12(14-15-13)8-11-6-4-3-5-7-11;4*1-2;;;;;;;;;;;/h5*5-9,11-12H,4,10H2,1-3H3;5-9,11H,4,10H2,1-3H3,(H,16,17);4*5-9,11H,4,10H2,1-3H3;3-7,9-10H,8H2,1-2H3;4*1-2H3;11*1H4
InChIKeyUYUKMXIYFULGIV-UHFFFAOYSA-N
XLogP53.00
TPSA221.65 Ų
H-Bond Donors1
H-Bond Acceptors21
Rotatable Bonds43
Heavy Atoms204
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002817.48
LogP ≤ 553.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1021

Analyze 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane?
The IUPAC name of 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane (CID 161231423) is 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane.
What is the SMILES notation for 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane?
The canonical SMILES for 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane is C.C.C.C.C.C.C.C.C.C.C.CC.CC.CC.CC.CC(C)c1cc(Cc2ccccc2)no1.CCc1[nH]c(Cc2ccccc2)nc1C(C)C.CCc1nc(Cc2ccccc2)cn1C(C)C.CCc1nc(Cc2ccccc2)oc1C(C)C.CCc1nc(Cc2ccccc2)oc1C(C)C.CCc1nc(Cc2ccccc2)sc1C(C)C.CCc1nc(Cc2ccccc2)sc1C(C)C.CCc1nn(Cc2ccccc2)cc1C(C)C.CCc1nn(Cc2ccccc2)cc1C(C)C.CCn1nc(Cc2ccccc2)cc1C(C)C.CCn1nc(Cc2ccccc2)cc1C(C)C.
What is the InChIKey of 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane?
The InChIKey is UYUKMXIYFULGIV-UHFFFAOYSA-N. The full InChI is InChI=1S/6C15H20N2.2C15H19NO.2C15H19NS.C13H15NO.4C2H6.11CH4/c2*1-4-15-14(12(2)3)11-17(16-15)10-13-8-6-5-7-9-13;2*1-4-17-15(12(2)3)11-14(16-17)10-13-8-6-5-7-9-13;1-4-15-16-14(11-17(15)12(2)3)10-13-8-6-5-7-9-13;5*1-4-13-15(11(2)3)17-14(16-13)10-12-8-6-5-7-9-12;1-10(2)13-9-12(14-15-13)8-11-6-4-3-5-7-11;4*1-2;;;;;;;;;;;/h5*5-9,11-12H,4,10H2,1-3H3;5-9,11H,4,10H2,1-3H3,(H,16,17);4*5-9,11H,4,10H2,1-3H3;3-7,9-10H,8H2,1-2H3;4*1-2H3;11*1H4.
What are the key properties of 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane?
2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane has a molecular weight of 2817.48 g/mol, XLogP of 53.00, 43 rotatable bonds, 1 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-ethyl-4-propan-2-yl-1H-imidazole;4-benzyl-2-ethyl-1-propan-2-ylimidazole;bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-oxazole);bis(1-benzyl-3-ethyl-4-propan-2-ylpyrazole);bis(3-benzyl-1-ethyl-5-propan-2-ylpyrazole);bis(2-benzyl-4-ethyl-5-propan-2-yl-1,3-thiazole);3-benzyl-5-propan-2-yl-1,2-oxazole;ethane;methane is sourced from PubChem (CID 161231423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).