2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole

C166H242N8O2S — CID 157306902

IUPAC2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole
SMILESCC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.CC(C)(C)C1=CCc2ccc(C(C)(C)C)cc21.CC(C)(C)C1=Cc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1ccc2cc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)nc2c1.CC(C)(C)c1ccc2sc(C(C)(C)C)nc2c1.CN(C)CCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.CN1c2cc(C(C)(C)C)ccc2CC1C(C)(C)C.Cn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H32N2.C17H27N.C17H25N.3C17H24.C16H22O.C15H22N2.C15H21NO.C15H21NS/c1-19(2,3)16-10-9-15-13-18(20(4,5)6)22(17(15)14-16)12-11-21(7)8;2*1-16(2,3)13-9-8-12-10-15(17(4,5)6)18(7)14(12)11-13;1-16(2,3)13-8-9-14-12(11-13)7-10-15(14)17(4,5)6;1-16(2,3)13-9-7-12-8-10-15(14(12)11-13)17(4,5)6;1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;2*1-14(2,3)10-7-8-12-11(9-10)16-13(17-12)15(4,5)6/h9-10,13-14H,11-12H2,1-8H3;8-9,11,15H,10H2,1-7H3;8-11H,1-7H3;8-11H,7H2,1-6H3;7,9-11H,8H2,1-6H3;7-8,10-11H,9H2,1-6H3;7-10H,1-6H3;7-9H,1-6H3,(H,16,17);2*7-9H,1-6H3
InChIKeyBCOWXVISLWJLDK-UHFFFAOYSA-N
MW2413.88 g/mol
LogP47.37
Rot. Bonds3

About 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole

2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole (PubChem CID 157306902) has the molecular formula C166H242N8O2S and a molecular weight of 2413.88 g/mol. Its IUPAC name is 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole.

Molecular Properties

Compound Name2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole
PubChem CID157306902
Molecular FormulaC166H242N8O2S
Molecular Weight2413.88 g/mol
Exact Mass2411.88
IUPAC Name2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole
SMILESCC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.CC(C)(C)C1=CCc2ccc(C(C)(C)C)cc21.CC(C)(C)C1=Cc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1ccc2cc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)nc2c1.CC(C)(C)c1ccc2sc(C(C)(C)C)nc2c1.CN(C)CCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.CN1c2cc(C(C)(C)C)ccc2CC1C(C)(C)C.Cn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C20H32N2.C17H27N.C17H25N.3C17H24.C16H22O.C15H22N2.C15H21NO.C15H21NS/c1-19(2,3)16-10-9-15-13-18(20(4,5)6)22(17(15)14-16)12-11-21(7)8;2*1-16(2,3)13-9-8-12-10-15(17(4,5)6)18(7)14(12)11-13;1-16(2,3)13-8-9-14-12(11-13)7-10-15(14)17(4,5)6;1-16(2,3)13-9-7-12-8-10-15(14(12)11-13)17(4,5)6;1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;2*1-14(2,3)10-7-8-12-11(9-10)16-13(17-12)15(4,5)6/h9-10,13-14H,11-12H2,1-8H3;8-9,11,15H,10H2,1-7H3;8-11H,1-7H3;8-11H,7H2,1-6H3;7,9-11H,8H2,1-6H3;7-8,10-11H,9H2,1-6H3;7-10H,1-6H3;7-9H,1-6H3,(H,16,17);2*7-9H,1-6H3
InChIKeyBCOWXVISLWJLDK-UHFFFAOYSA-N
XLogP47.37
TPSA97.08 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms177
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002413.88
LogP ≤ 547.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

Analyze 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole with MolForge

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Launch Full Analysis

Related Compounds

2-[[2-[(E)-3-[4-[[2-[(3E)-3-(2,5-dihydroxy-3,6-dimethyl-4-methylidenecyclohexa-2,5-dien-1-ylidene)propyl]-1,3-benzothiazol-6-yl]methyl]-2,5-dihydroxy-3,6-dimethylphenyl]prop-2-enyl]-1,3-benzoxazol-6-yl]methyl]-5-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 123381836
2-[[2-[(3E)-3-[(4E)-4-[[2-[(E)-3-(2,5-dihydroxy-3,4,6-trimethylphenyl)prop-2-enyl]-1,3-benzothiazol-6-yl]methylidene]-2,5-dihydroxy-3,6-dimethylcyclohexa-2,5-dien-1-ylidene]propyl]-1,3-benzoxazol-6-yl]methyl]-5-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-3,6-dimethylcyclohexa-2,5-diene-1,4-dione
CID 123423823
2-[3-[6-[[4-[3-[6-[[4-[3-(6-fluoro-1H-benzimidazol-2-yl)propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1,3-benzoxazol-2-yl]propyl]-2,5-dimethyl-3,6-dioxocyclohexa-1,4-dien-1-yl]methyl]-1,3-benzothiazol-2-yl]propyl]-3,5,6-trimethylcyclohexa-2,5-diene-1,4-dione
CID 137507132
1-[1,3-dimethyl-2-[3-(3-methyl-1,3-benzothiazol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]propan-2-one;2-[1,3-dimethyl-2-[3-(3-methyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]acetonitrile;phenyl 2-[1,3-dimethyl-2-[3-(1,3,3-trimethylindol-1-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]acetate;propyl 2-[1,3-dimethyl-2-[3-(3-methyl-1H-benzimidazol-3-ium-2-yl)prop-2-enylidene]benzo[e]indol-1-yl]acetate;trifluoromethyl 2-[2-[(E,3E)-3-[1-(cyanomethyl)-1,3-dimethylbenzo[e]indol-2-ylidene]prop-1-enyl]-1,3-dimethylbenzo[e]indol-3-ium-1-yl]acetate
CID 157809284
CID 160156765
CID 160156765
tert-butylbenzene;bis(3,3-dimethylbutan-2-ylbenzene);2,2-dimethyl-1-phenylpropan-1-amine;2-(2,2-dimethyl-1-phenylpropyl)-1H-benzimidazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzothiazole;2-(2,2-dimethyl-1-phenylpropyl)-1,3-benzoxazole;2-(2,2-dimethyl-1-phenylpropyl)-3H-isoindol-1-one;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidine;1-(2,2-dimethyl-1-phenylpropyl)pyrrolidin-2-one;2,2-dimethylpropylbenzene;2-(2,2-dimethylpropyl)-2,3-dihydro-1H-indene;1-(2,2-dimethylpropyl)-3-(trifluoromethyl)benzene;2-[1-(2-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one;2-[1-(3-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one;2-[1-(4-fluorophenyl)-2,2-dimethylpropyl]-3H-isoindol-1-one
CID 160956842
1H-benzimidazole;1,3-benzothiazole;1,3-benzoxazole;9H-carbazole;2,3-dihydro-1H-isoindole
CID 70103853
2-[7-(1H-benzimidazol-2-yl)-6-(1-benzofuran-2-yl)-4-(2-benzylsulfanylphenyl)-3-(1H-indol-2-yl)-2H-1,3-benzothiazol-5-yl]-1,3-benzoxazole
CID 91045967
2-[(E)-3-[6-[[4-[(E)-3-[6-[[4-[(E)-3-(1,3-benzoxazol-2-yl)prop-1-enyl]-2,5-dihydroxy-3,6-dimethylphenyl]methyl]-1,3-benzothiazol-2-yl]prop-1-enyl]-2,5-dihydroxy-3,6-dimethylphenyl]methyl]-1-methylbenzimidazol-2-yl]prop-1-enyl]-3,5,6-trimethylbenzene-1,4-diol
CID 123175298
2-[8-[12-(1,3-Benzothiazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-2-yl]-2-[12-(1-methylbenzimidazol-2-yl)-[1]benzothiolo[2,3-a]carbazol-8-yl]-[1]benzothiolo[2,3-a]carbazol-12-yl]-1,3-benzoxazole
CID 130369561
29-[15-(3-Cyclohexa-2,4-dien-1-ylphenyl)-11-thia-14,16-diazatetracyclo[8.7.0.02,7.012,17]heptadeca-1(10),2(7),5,8,12(17),13,15-heptaen-13-yl]-3-oxa-24,29-diazaoctacyclo[24.2.1.02,10.04,9.012,28.015,27.017,25.018,23]nonacosa-1(28),2(10),4,6,8,11,13,15,17(25),18,20,22,26-tridecaene
CID 130381975
2-[4-(1H-benzimidazol-2-yl)-3-(1,3-benzothiazol-2-yl)-1H-indol-5-yl]-1,3-benzoxazole
CID 136657836

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole?
The IUPAC name of 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole (CID 157306902) is 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole.
What is the SMILES notation for 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole?
The canonical SMILES for 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole is CC(C)(C)C1=CCc2cc(C(C)(C)C)ccc21.CC(C)(C)C1=CCc2ccc(C(C)(C)C)cc21.CC(C)(C)C1=Cc2cc(C(C)(C)C)ccc2C1.CC(C)(C)c1ccc2cc(C(C)(C)C)oc2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2oc(C(C)(C)C)nc2c1.CC(C)(C)c1ccc2sc(C(C)(C)C)nc2c1.CN(C)CCn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.CN1c2cc(C(C)(C)C)ccc2CC1C(C)(C)C.Cn1c(C(C)(C)C)cc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole?
The InChIKey is BCOWXVISLWJLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2.C17H27N.C17H25N.3C17H24.C16H22O.C15H22N2.C15H21NO.C15H21NS/c1-19(2,3)16-10-9-15-13-18(20(4,5)6)22(17(15)14-16)12-11-21(7)8;2*1-16(2,3)13-9-8-12-10-15(17(4,5)6)18(7)14(12)11-13;1-16(2,3)13-8-9-14-12(11-13)7-10-15(14)17(4,5)6;1-16(2,3)13-9-7-12-8-10-15(14(12)11-13)17(4,5)6;1-16(2,3)14-8-7-12-9-15(17(4,5)6)11-13(12)10-14;1-15(2,3)12-8-7-11-9-14(16(4,5)6)17-13(11)10-12;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;2*1-14(2,3)10-7-8-12-11(9-10)16-13(17-12)15(4,5)6/h9-10,13-14H,11-12H2,1-8H3;8-9,11,15H,10H2,1-7H3;8-11H,1-7H3;8-11H,7H2,1-6H3;7,9-11H,8H2,1-6H3;7-8,10-11H,9H2,1-6H3;7-10H,1-6H3;7-9H,1-6H3,(H,16,17);2*7-9H,1-6H3.
What are the key properties of 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole?
2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole has a molecular weight of 2413.88 g/mol, XLogP of 47.37, 3 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1H-benzimidazole;2,6-ditert-butyl-1-benzofuran;2,5-ditert-butyl-1,3-benzothiazole;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;2-(2,6-ditert-butylindol-1-yl)-N,N-dimethylethanamine;2,6-ditert-butyl-1-methyl-2,3-dihydroindole;2,6-ditert-butyl-1-methylindole is sourced from PubChem (CID 157306902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).