6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene

C165H209F7N10O6S2 — CID 157050189

IUPAC6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
SMILESCC(C)(C)c1cc(F)co1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c[nH]cc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cscc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2nnccc2c1.CC(C)(C)c1cccc(OC(F)(F)F)c1F.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC
InChIInChI=1S/C14H16.C13H15N.2C12H14N2.C12H15N.C12H18O2.C12H14S.C11H12F4O.2C11H14N2.C11H16O.C10H12F2.C8H11FO.C8H12O.C8H12S/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-10(2,3)7-5-4-6-8(9(7)12)16-11(13,14)15;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-4-5-8(11)9(12)6-7;1-8(2,3)7-4-6(9)5-10-7;2*1-8(2,3)7-5-4-6-9-7/h4-10H,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;4-8,13H,1-3H3;6-8H,1-5H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3,(H,12,13);5-8H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyAACLNXNLHSIKCW-UHFFFAOYSA-N
MW2625.67 g/mol
LogP48.53
Rot. Bonds4

About 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene

6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene (PubChem CID 157050189) has the molecular formula C165H209F7N10O6S2 and a molecular weight of 2625.67 g/mol. Its IUPAC name is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene.

Molecular Properties

Compound Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
PubChem CID157050189
Molecular FormulaC165H209F7N10O6S2
Molecular Weight2625.67 g/mol
Exact Mass2623.57
IUPAC Name6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene
SMILESCC(C)(C)c1cc(F)co1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c[nH]cc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cscc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2nnccc2c1.CC(C)(C)c1cccc(OC(F)(F)F)c1F.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC
InChIInChI=1S/C14H16.C13H15N.2C12H14N2.C12H15N.C12H18O2.C12H14S.C11H12F4O.2C11H14N2.C11H16O.C10H12F2.C8H11FO.C8H12O.C8H12S/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-10(2,3)7-5-4-6-8(9(7)12)16-11(13,14)15;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-4-5-8(11)9(12)6-7;1-8(2,3)7-4-6(9)5-10-7;2*1-8(2,3)7-5-4-6-9-7/h4-10H,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;4-8,13H,1-3H3;6-8H,1-5H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3,(H,12,13);5-8H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3
InChIKeyAACLNXNLHSIKCW-UHFFFAOYSA-N
XLogP48.53
TPSA200.80 Ų
H-Bond Donors3
H-Bond Acceptors15
Rotatable Bonds4
Heavy Atoms190
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002625.67
LogP ≤ 548.53
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1015

Analyze 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene?
The IUPAC name of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene (CID 157050189) is 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene.
What is the SMILES notation for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene?
The canonical SMILES for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene is CC(C)(C)c1cc(F)co1.CC(C)(C)c1ccc(F)c(F)c1.CC(C)(C)c1ccc2[nH]ncc2c1.CC(C)(C)c1ccc2c[nH]cc2c1.CC(C)(C)c1ccc2ccccc2c1.CC(C)(C)c1ccc2cccnc2c1.CC(C)(C)c1ccc2cscc2c1.CC(C)(C)c1ccc2nc[nH]c2c1.CC(C)(C)c1ccc2nccnc2c1.CC(C)(C)c1ccc2nnccc2c1.CC(C)(C)c1cccc(OC(F)(F)F)c1F.CC(C)(C)c1ccco1.CC(C)(C)c1cccs1.COc1ccc(C(C)(C)C)cc1.COc1ccc(C(C)(C)C)cc1OC.
What is the InChIKey of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene?
The InChIKey is AACLNXNLHSIKCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16.C13H15N.2C12H14N2.C12H15N.C12H18O2.C12H14S.C11H12F4O.2C11H14N2.C11H16O.C10H12F2.C8H11FO.C8H12O.C8H12S/c1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-7-6-10-5-4-8-14-12(10)9-11;1-12(2,3)10-4-5-11-9(8-10)6-7-13-14-11;1-12(2,3)9-4-5-10-11(8-9)14-7-6-13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-6-7-10(13-4)11(8-9)14-5;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-10(2,3)7-5-4-6-8(9(7)12)16-11(13,14)15;1-11(2,3)9-4-5-10-8(6-9)7-12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9;1-11(2,3)9-5-7-10(12-4)8-6-9;1-10(2,3)7-4-5-8(11)9(12)6-7;1-8(2,3)7-4-6(9)5-10-7;2*1-8(2,3)7-5-4-6-9-7/h4-10H,1-3H3;4-9H,1-3H3;2*4-8H,1-3H3;4-8,13H,1-3H3;6-8H,1-5H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3,(H,12,13);5-8H,1-4H3;4-6H,1-3H3;4-5H,1-3H3;2*4-6H,1-3H3.
What are the key properties of 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene?
6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene has a molecular weight of 2625.67 g/mol, XLogP of 48.53, 4 rotatable bonds, 3 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-1H-benzimidazole;5-tert-butyl-2-benzothiophene;6-tert-butylcinnoline;4-tert-butyl-1,2-difluorobenzene;4-tert-butyl-1,2-dimethoxybenzene;2-tert-butyl-4-fluorofuran;1-tert-butyl-2-fluoro-3-(trifluoromethoxy)benzene;2-tert-butylfuran;5-tert-butyl-1H-indazole;5-tert-butyl-2H-isoindole;1-tert-butyl-4-methoxybenzene;2-tert-butylnaphthalene;7-tert-butylquinoline;6-tert-butylquinoxaline;2-tert-butylthiophene is sourced from PubChem (CID 157050189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).