4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline

C144H182F2N12O8S — CID 158641726

IUPAC4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccc(=O)[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.Cc1nc2cc(C(C)(C)C)ccc2o1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C13H17NO.C13H15NO.C13H19N.C12H16N2.2C12H15NO.C12H15N.C12H16O2.C12H14S.C11H12F2O2.2C11H14N2/c1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)10-6-4-5-9-7-8-11(15)14-12(9)10;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6H,7-8H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,7-8,14H,5-6,9H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyIALVBNNVAMCATF-UHFFFAOYSA-N
MW2279.18 g/mol
LogP36.72
Rot. Bonds

About 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline

4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline (PubChem CID 158641726) has the molecular formula C144H182F2N12O8S and a molecular weight of 2279.18 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
PubChem CID158641726
Molecular FormulaC144H182F2N12O8S
Molecular Weight2279.18 g/mol
Exact Mass2277.39
IUPAC Name4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline
SMILESCC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccc(=O)[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.Cc1nc2cc(C(C)(C)C)ccc2o1.Cn1nc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C13H17NO.C13H15NO.C13H19N.C12H16N2.2C12H15NO.C12H15N.C12H16O2.C12H14S.C11H12F2O2.2C11H14N2/c1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)10-6-4-5-9-7-8-11(15)14-12(9)10;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6H,7-8H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,7-8,14H,5-6,9H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3,(H,12,13)
InChIKeyIALVBNNVAMCATF-UHFFFAOYSA-N
XLogP36.72
TPSA253.58 Ų
H-Bond Donors6
H-Bond Acceptors16
Rotatable Bonds
Heavy Atoms167
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002279.18
LogP ≤ 536.72
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1016

Analyze 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline (CID 158641726) is 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline is CC(C)(C)c1ccc2c(c1)CN=C2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1CC(=O)N2.CC(C)(C)c1cccc2c1CCC(=O)N2.CC(C)(C)c1cccc2c1CCCN2.CC(C)(C)c1cccc2c1OC(F)(F)O2.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1cccc2ccc(=O)[nH]c12.CC(C)(C)c1cccc2cn[nH]c12.CC(C)(C)c1csc2ccccc12.Cc1nc2cc(C(C)(C)C)ccc2o1.Cn1nc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
The InChIKey is IALVBNNVAMCATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO.C13H15NO.C13H19N.C12H16N2.2C12H15NO.C12H15N.C12H16O2.C12H14S.C11H12F2O2.2C11H14N2/c1-13(2,3)10-5-4-6-11-9(10)7-8-12(15)14-11;1-13(2,3)10-6-4-5-9-7-8-11(15)14-12(9)10;1-13(2,3)11-7-4-8-12-10(11)6-5-9-14-12;1-12(2,3)11-9-7-5-6-8-10(9)14(4)13-11;1-8-13-10-7-9(12(2,3)4)5-6-11(10)14-8;1-12(2,3)9-5-4-6-10-8(9)7-11(14)13-10;1-12(2,3)11-5-4-9-7-13-8-10(9)6-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-10(2,3)7-5-4-6-8-9(7)15-11(12,13)14-8;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)9-6-4-5-8-7-12-13-10(8)9/h4-6H,7-8H2,1-3H3,(H,14,15);4-8H,1-3H3,(H,14,15);4,7-8,14H,5-6,9H2,1-3H3;5-8H,1-4H3;5-7H,1-4H3;4-6H,7H2,1-3H3,(H,13,14);4-7H,8H2,1-3H3;4-6H,7-8H2,1-3H3;4-8H,1-3H3;4-6H,1-3H3;2*4-7H,1-3H3,(H,12,13).
What are the key properties of 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline?
4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline has a molecular weight of 2279.18 g/mol, XLogP of 36.72, 0 rotatable bonds, 6 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2,2-difluoro-1,3-benzodioxole;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;4-tert-butyl-1,3-dihydroindol-2-one;5-tert-butyl-3,4-dihydro-1H-quinolin-2-one;7-tert-butyl-1H-indazole;6-tert-butyl-1H-isoindole;5-tert-butyl-2-methyl-1,3-benzoxazole;3-tert-butyl-1-methylindazole;8-tert-butyl-1H-quinolin-2-one;5-tert-butyl-1,2,3,4-tetrahydroquinoline is sourced from PubChem (CID 158641726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).