5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine

C124H162N14O2S2 — CID 159231354

IUPAC5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2sccc2c1.Cc1c(C(C)(C)C)sc2ccccc12.Cc1cc2nc(C)c(C(C)(C)C)n2cc1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccccc2n1C(C)(C)C.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20N2.2C13H18N2.C13H16S.3C12H16N2.C12H14O.C12H14S.C11H14N2O/c1-9-7-12-15-11(3)13(14(4,5)6)16(12)8-10(9)2;1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8/h7-8H,1-6H3;2*6-8H,1-5H3;4*5-8H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3,(H2,12,13,14)
InChIKeyKSYCEYCWTOUUKD-UHFFFAOYSA-N
MW1944.89 g/mol
LogP33.35
Rot. Bonds

About 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine

5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine (PubChem CID 159231354) has the molecular formula C124H162N14O2S2 and a molecular weight of 1944.89 g/mol. Its IUPAC name is 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine
PubChem CID159231354
Molecular FormulaC124H162N14O2S2
Molecular Weight1944.89 g/mol
Exact Mass1943.24
IUPAC Name5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine
SMILESCC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2sccc2c1.Cc1c(C(C)(C)C)sc2ccccc12.Cc1cc2nc(C)c(C(C)(C)C)n2cc1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccccc2n1C(C)(C)C.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ncc2cc(C(C)(C)C)ccc21
InChIInChI=1S/C14H20N2.2C13H18N2.C13H16S.3C12H16N2.C12H14O.C12H14S.C11H14N2O/c1-9-7-12-15-11(3)13(14(4,5)6)16(12)8-10(9)2;1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8/h7-8H,1-6H3;2*6-8H,1-5H3;4*5-8H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3,(H2,12,13,14)
InChIKeyKSYCEYCWTOUUKD-UHFFFAOYSA-N
XLogP33.35
TPSA168.19 Ų
H-Bond Donors2
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms142
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001944.89
LogP ≤ 533.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1016

Analyze 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5R)-5-[2-(1-benzothiophen-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(1,7-dimethylindazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[2-(2,7-dimethylindazol-5-yl)ethynyl]-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]imidazolidine-2,4-dione;(5R)-5-[(5-methoxy-3-oxo-1H-isoindol-2-yl)methyl]-5-[2-[3-methyl-2-(trifluoromethyl)benzimidazol-5-yl]ethynyl]imidazolidine-2,4-dione
CID 161216120
2-(5-tert-butyl-2-methylbenzimidazol-1-yl)-N,N-dimethylethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzofuran-3-yl)ethanamine;N,N-dimethyl-2-(6-propan-2-yl-1-benzothiophen-3-yl)ethanamine;N,N-dimethyl-1-(7-propan-2-yl-1,3-dihydro-2-benzothiophen-4-yl)piperidin-4-amine;N,N-dimethyl-1-(4-propan-2-yl-2,3-dihydro-1H-pyrrolo[3,2-c]pyridin-7-yl)piperidin-4-amine;N,N-dimethyl-2-(5-propan-2-ylimidazo[4,5-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylindol-1-yl)ethanamine;N,N-dimethyl-2-(5-propan-2-ylpyrrolo[3,2-b]pyridin-1-yl)ethanamine;N,N-dimethyl-2-[5-propan-2-yl-2-(trifluoromethyl)benzimidazol-1-yl]ethanamine
CID 167592122
CID 59358566
CID 59358566
CID 59358842
CID 59358842
CID 59359312
CID 59359312
14-[3-(3-Dibenzofuran-2-ylcarbazol-9-yl)phenyl]-10-thia-2,5-diazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(12),3,5,7(11),8,13,15-heptaene;iridium;4-[4-(2-methoxy-5-methyl-3-phenylphenyl)phenyl]-1-phenylpyrazole
CID 59359476
1H-benzimidazole;1-benzofuran;1-benzothiophene;1H-indazole;1H-indole
CID 67067518
11-(6-Dibenzofuran-2-yl-9-phenylcarbazol-3-yl)-12-(4-dibenzothiophen-2-ylpyrimidin-2-yl)indolo[2,3-a]carbazole
CID 117862573
3-[3-[3-[8-Dibenzothiophen-2-yl-1-[8-dibenzothiophen-2-yl-4-[3-[3-[9-(1,2-dihydropyrimidin-5-yl)carbazol-3-yl]phenyl]phenyl]dibenzofuran-1-yl]dibenzofuran-4-yl]phenyl]phenyl]-9-pyrimidin-5-ylcarbazole
CID 118700137
4-(1H-benzimidazol-2-yl)-7-(1-benzofuran-3-yl)-6-(1-benzothiophen-3-yl)-3,5-bis(1H-indazol-3-yl)-8-(1H-indol-2-yl)quinoline
CID 123167562
5-(1-benzothiophen-2-yl)-6-(furan-2-yl)-3-(1H-indol-2-yl)-2-(2H-isoindol-1-yl)-1-(7H-purin-2-yl)-4-(1H-pyrazol-3-yl)-9H-carbazole
CID 140969703
1-[2-(1H-benzimidazol-2-yl)-4-(1-benzothiophen-2-yl)-3-(furan-2-yl)-5-(1H-indol-2-yl)-6-(2H-isoindol-1-yl)phenyl]indazole
CID 141041363

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine?
The IUPAC name of 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine (CID 159231354) is 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine.
What is the SMILES notation for 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine?
The canonical SMILES for 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine is CC(C)(C)c1ccc2[nH]c(=O)[nH]c2c1.CC(C)(C)c1ccc2occc2c1.CC(C)(C)c1ccc2sccc2c1.Cc1c(C(C)(C)C)sc2ccccc12.Cc1cc2nc(C)c(C(C)(C)C)n2cc1C.Cc1nc2cc(C(C)(C)C)ccc2n1C.Cc1nc2ccc(C(C)(C)C)cc2n1C.Cc1nc2ccccc2n1C(C)(C)C.Cn1c(C(C)(C)C)nc2ccccc21.Cn1ncc2cc(C(C)(C)C)ccc21.
What is the InChIKey of 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine?
The InChIKey is KSYCEYCWTOUUKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2.2C13H18N2.C13H16S.3C12H16N2.C12H14O.C12H14S.C11H14N2O/c1-9-7-12-15-11(3)13(14(4,5)6)16(12)8-10(9)2;1-9-14-11-8-10(13(2,3)4)6-7-12(11)15(9)5;1-9-14-11-7-6-10(13(2,3)4)8-12(11)15(9)5;1-9-10-7-5-6-8-11(10)14-12(9)13(2,3)4;1-12(2,3)10-5-6-11-9(7-10)8-13-14(11)4;1-12(2,3)11-13-9-7-5-6-8-10(9)14(11)4;1-9-13-10-7-5-6-8-11(10)14(9)12(2,3)4;2*1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-11(2,3)7-4-5-8-9(6-7)13-10(14)12-8/h7-8H,1-6H3;2*6-8H,1-5H3;4*5-8H,1-4H3;2*4-8H,1-3H3;4-6H,1-3H3,(H2,12,13,14).
What are the key properties of 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine?
5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine has a molecular weight of 1944.89 g/mol, XLogP of 33.35, 0 rotatable bonds, 2 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-1-benzofuran;5-tert-butyl-1-benzothiophene;5-tert-butyl-1,3-dihydrobenzimidazol-2-one;5-tert-butyl-1,2-dimethylbenzimidazole;6-tert-butyl-1,2-dimethylbenzimidazole;1-tert-butyl-2-methylbenzimidazole;2-tert-butyl-1-methylbenzimidazole;2-tert-butyl-3-methyl-1-benzothiophene;5-tert-butyl-1-methylindazole;3-tert-butyl-2,6,7-trimethylimidazo[1,2-a]pyridine is sourced from PubChem (CID 159231354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).