5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene

C166H276N16O3S3 — CID 161220309

IUPAC5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene
SMILESCC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc[nH]1.CC(C)(C)n1cccc1.CC(C)c1ccc(C(C)(C)C)[nH]1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1cccn1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)[nH]1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/2C11H19N.C11H18O.C11H18S.C10H18N2.2C10H17N.C9H16N2.2C9H15N.C9H14O.C9H14S.C8H14N2.2C8H13N.C8H12O.C8H12S.C7H12N2/c1-9(2)10-6-7-12(8-10)11(3,4)5;3*1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-8-6-9(2)11(7-8)10(3,4)5;1-5-9-7-6-8-11(9)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-8-5-6-10(7-8)9(2,3)4;3*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)9-6-4-5-7-9;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6/h6-9H,1-5H3;6-8,12H,1-5H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3;6-8H,5H2,1-4H3;6H,1-5H3;5-7H,1-4H3;5-6,10H,1-4H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyUXKIULLMVANYBS-UHFFFAOYSA-N
MW2640.34 g/mol
LogP50.51
Rot. Bonds6

About 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene

5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene (PubChem CID 161220309) has the molecular formula C166H276N16O3S3 and a molecular weight of 2640.34 g/mol. Its IUPAC name is 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene.

Molecular Properties

Compound Name5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene
PubChem CID161220309
Molecular FormulaC166H276N16O3S3
Molecular Weight2640.34 g/mol
Exact Mass2638.11
IUPAC Name5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene
SMILESCC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc[nH]1.CC(C)(C)n1cccc1.CC(C)c1ccc(C(C)(C)C)[nH]1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1cccn1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)[nH]1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C
InChIInChI=1S/2C11H19N.C11H18O.C11H18S.C10H18N2.2C10H17N.C9H16N2.2C9H15N.C9H14O.C9H14S.C8H14N2.2C8H13N.C8H12O.C8H12S.C7H12N2/c1-9(2)10-6-7-12(8-10)11(3,4)5;3*1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-8-6-9(2)11(7-8)10(3,4)5;1-5-9-7-6-8-11(9)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-8-5-6-10(7-8)9(2,3)4;3*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)9-6-4-5-7-9;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6/h6-9H,1-5H3;6-8,12H,1-5H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3;6-8H,5H2,1-4H3;6H,1-5H3;5-7H,1-4H3;5-6,10H,1-4H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9)
InChIKeyUXKIULLMVANYBS-UHFFFAOYSA-N
XLogP50.51
TPSA215.30 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds6
Heavy Atoms188
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002640.34
LogP ≤ 550.51
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene?
The IUPAC name of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene (CID 161220309) is 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene.
What is the SMILES notation for 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene?
The canonical SMILES for 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene is CC(C)(C)c1ccc[nH]1.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.CC(C)(C)c1cnc[nH]1.CC(C)(C)n1cccc1.CC(C)c1ccc(C(C)(C)C)[nH]1.CC(C)c1ccc(C(C)(C)C)o1.CC(C)c1ccc(C(C)(C)C)s1.CC(C)c1ccn(C(C)(C)C)c1.CC(C)c1ncc(C(C)(C)C)[nH]1.CCc1cccn1C(C)(C)C.Cc1cc(C)n(C(C)(C)C)c1.Cc1ccc(C(C)(C)C)[nH]1.Cc1ccc(C(C)(C)C)o1.Cc1ccc(C(C)(C)C)s1.Cc1ccn(C(C)(C)C)c1.Cc1ncc(C(C)(C)C)[nH]1.Cc1ncc(C(C)(C)C)n1C.
What is the InChIKey of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene?
The InChIKey is UXKIULLMVANYBS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C11H19N.C11H18O.C11H18S.C10H18N2.2C10H17N.C9H16N2.2C9H15N.C9H14O.C9H14S.C8H14N2.2C8H13N.C8H12O.C8H12S.C7H12N2/c1-9(2)10-6-7-12(8-10)11(3,4)5;3*1-8(2)9-6-7-10(12-9)11(3,4)5;1-7(2)9-11-6-8(12-9)10(3,4)5;1-8-6-9(2)11(7-8)10(3,4)5;1-5-9-7-6-8-11(9)10(2,3)4;1-7-10-6-8(11(7)5)9(2,3)4;1-8-5-6-10(7-8)9(2,3)4;3*1-7-5-6-8(10-7)9(2,3)4;1-6-9-5-7(10-6)8(2,3)4;1-8(2,3)9-6-4-5-7-9;3*1-8(2,3)7-5-4-6-9-7;1-7(2,3)6-4-8-5-9-6/h6-9H,1-5H3;6-8,12H,1-5H3;2*6-8H,1-5H3;6-7H,1-5H3,(H,11,12);6-7H,1-5H3;6-8H,5H2,1-4H3;6H,1-5H3;5-7H,1-4H3;5-6,10H,1-4H3;2*5-6H,1-4H3;5H,1-4H3,(H,9,10);4-7H,1-3H3;4-6,9H,1-3H3;2*4-6H,1-3H3;4-5H,1-3H3,(H,8,9).
What are the key properties of 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene?
5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene has a molecular weight of 2640.34 g/mol, XLogP of 50.51, 6 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1,2-dimethylimidazole;1-tert-butyl-2,4-dimethylpyrrole;1-tert-butyl-2-ethylpyrrole;2-tert-butylfuran;5-tert-butyl-1H-imidazole;2-tert-butyl-5-methylfuran;5-tert-butyl-2-methyl-1H-imidazole;1-tert-butyl-3-methylpyrrole;2-tert-butyl-5-methyl-1H-pyrrole;2-tert-butyl-5-methylthiophene;2-tert-butyl-5-propan-2-ylfuran;5-tert-butyl-2-propan-2-yl-1H-imidazole;1-tert-butyl-3-propan-2-ylpyrrole;2-tert-butyl-5-propan-2-yl-1H-pyrrole;2-tert-butyl-5-propan-2-ylthiophene;1-tert-butylpyrrole;2-tert-butyl-1H-pyrrole;2-tert-butylthiophene is sourced from PubChem (CID 161220309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).