6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

C84H108N8O6 — CID 157231809

IUPAC6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OC(=O)C2.CC(C)(C)c1cccn2ncnc12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cn1c(=O)oc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H18N2.C13H17N.C12H15NO2.C12H15NO.C12H14O2.C12H16O.C10H13N3/c1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)8-5-6-10-9(7-8)13(4)11(14)15-10;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-5-4-8-6-11(13)14-10(8)7-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)8-5-4-6-13-9(8)11-7-12-13/h6-7H,1-5H3,(H,14,15);5-8,14H,1-4H3;5-7H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-5,7H,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3
InChIKeyAUERINOFWRSABS-UHFFFAOYSA-N
MW1325.84 g/mol
LogP19.55
Rot. Bonds

About 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine

6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (PubChem CID 157231809) has the molecular formula C84H108N8O6 and a molecular weight of 1325.84 g/mol. Its IUPAC name is 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.

Molecular Properties

Compound Name6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
PubChem CID157231809
Molecular FormulaC84H108N8O6
Molecular Weight1325.84 g/mol
Exact Mass1324.84
IUPAC Name6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine
SMILESCC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OC(=O)C2.CC(C)(C)c1cccn2ncnc12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cn1c(=O)oc2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H18N2.C13H17N.C12H15NO2.C12H15NO.C12H14O2.C12H16O.C10H13N3/c1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)8-5-6-10-9(7-8)13(4)11(14)15-10;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-5-4-8-6-11(13)14-10(8)7-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)8-5-4-6-13-9(8)11-7-12-13/h6-7H,1-5H3,(H,14,15);5-8,14H,1-4H3;5-7H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-5,7H,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3
InChIKeyAUERINOFWRSABS-UHFFFAOYSA-N
XLogP19.55
TPSA174.43 Ų
H-Bond Donors3
H-Bond Acceptors11
Rotatable Bonds
Heavy Atoms98
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001325.84
LogP ≤ 519.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-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

5-[3,3-dimethyl-2-oxo-1-(1H-pyrazol-4-yl)indol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;5-[1-(1H-imidazol-2-yl)-3,3-dimethyl-2-oxoindol-4-yl]-N-(4-methylphenyl)-2-(trifluoromethyl)benzamide;2-methyl-N-(4-methylphenyl)-5-(2-oxo-3-pyrimidin-2-yl-1,3-benzoxazol-7-yl)benzamide
CID 157115946
4-[4-amino-5-(7-methyl-1H-indol-2-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]-N-(3-fluorophenyl)cyclohexane-1-carboxamide;methane;methyl 4-[4-amino-5-(1-methylindol-6-yl)imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate;methyl 4-[4-amino-5-[7-(trifluoromethoxy)-1H-indol-2-yl]imidazo[5,1-f][1,2,4]triazin-7-yl]cyclohexane-1-carboxylate
CID 160894325
methyl (3R)-4-[(2S)-2-[5-[6-[(2S,4S)-4-ethoxy-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]pyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-4-oxo-3-phenylbutanoate
CID 117660116
(2S)-1-[(2S)-2-[6-[2-[2-[(2S)-1-[(2S)-2,3-dimethylbutanoyl]pyrrolidin-2-yl]-3H-benzimidazol-5-yl]quinazolin-6-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2,3-dimethylbutan-1-one;2-methyl-1-[(2S)-2-[4-[4-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]naphthalen-2-yl]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[4-[4-[[4-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]methoxy]phenyl]-3H-pyrrol-2-yl]pyrrolidin-1-yl]propan-1-one
CID 123647363
2-methyl-1-[(2S)-2-[6-[6-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]naphthalen-2-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-methyl-1-[(2S)-2-[6-[3-[2-[(2S)-1-[(2R)-2-phenylpropanoyl]pyrrolidin-2-yl]-3H-indol-6-yl]quinolin-7-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]propan-1-one;2-[(2S)-pyrrolidin-2-yl]-5-[4-[[4-[2-[(2S)-pyrrolidin-2-yl]-1H-imidazol-5-yl]phenoxy]methyl]phenyl]-1H-imidazole
CID 123675036
[(1R)-2-[2-[5-[3-[2-[1-[(2R)-2-carbamoyloxy-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1,6-dimethyl-6H-indolo[1,2-c][1,3]benzoxazin-10-yl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-oxo-1-phenylethyl] carbamate
CID 123891488
methyl N-[(1S)-2-[2-[5-[(5S)-5-(4-tert-butylphenyl)-2-[2-[(8S)-7-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-1,4-dioxa-7-azaspiro[4.4]nonan-8-yl]-3H-benzimidazol-5-yl]-5H-pyrazolo[1,5-c][1,3]benzoxazin-8-yl]-1H-imidazol-2-yl]pyrrol-1-yl]-2-oxo-1-phenylethyl]carbamate
CID 141457709
methyl 2-[[(2S)-1-[(2S,5S)-2-[17-[2-[(2S,4S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]-4-(methoxymethyl)pyrrolidin-2-yl]-1H-imidazol-5-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-6-yl]-5-methylpyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]amino]acetate
CID 154932214
tert-butyl (4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidine-1-carboxylate;2-(methoxycarbonylamino)-2-phenylacetic acid;methyl N-[(1R)-2-[(4S)-2-[5-[6-[(2S,5S)-1-[(2S)-2-(methoxycarbonylamino)-3-methylbutanoyl]-5-methylpyrrolidin-2-yl]-21-oxa-5,7-diazapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),2,4(8),5,9,11,14(19),15,17-nonaen-17-yl]-1H-imidazol-2-yl]-4-(methoxymethyl)pyrrolidin-1-yl]-2-oxo-1-phenylethyl]carbamate;molecular hydrogen
CID 157061419
3,3-dimethyl-1-propan-2-yl-2H-indole;3,3-dimethyl-1-propan-2-ylindol-2-one;1-ethyl-3-propan-2-ylbenzimidazol-2-one;1-methyl-3-propan-2-ylbenzimidazol-2-one;3-methyl-1-propan-2-ylimidazo[1,5-a]pyridine;1-methyl-4-propan-2-ylindazole;3-propan-2-yl-1H-benzimidazol-2-one;1-propan-2-ylbenzotriazole;4-propan-2-yl-2,3-dihydro-1,4-benzoxazine;1-propan-2-yl-2,3-dihydroindole;1-propan-2-yl-3-(trideuteriomethyl)benzimidazol-2-one
CID 157131307
CID 157165445
CID 157165445
2-methyl-6-(6-methyl-2-pyridinyl)-1H-benzimidazole;6-(6-methyl-2-pyridinyl)-1H-benzimidazole;5-(6-methyl-2-pyridinyl)-3H-1-benzofuran-2-one;5-(6-methyl-2-pyridinyl)-3H-2-benzofuran-1-one;5-(6-methyl-2-pyridinyl)-3H-1,3-benzoxazol-2-one;5-(6-methyl-2-pyridinyl)-1,3-dihydroindol-2-one;6-(6-methyl-2-pyridinyl)-1,3-dihydroindol-2-one
CID 157224055

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The IUPAC name of 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine (CID 157231809) is 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine.
What is the SMILES notation for 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The canonical SMILES for 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)NC(=O)C2.CC(C)(C)c1ccc2c(c1)OC(=O)C2.CC(C)(C)c1cccn2ncnc12.Cc1cc2cc(C(C)(C)C)ccc2[nH]1.Cc1cc2nc(C(C)(C)C)[nH]c2cc1C.Cn1c(=O)oc2ccc(C(C)(C)C)cc21.
What is the InChIKey of 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
The InChIKey is AUERINOFWRSABS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2.C13H17N.C12H15NO2.C12H15NO.C12H14O2.C12H16O.C10H13N3/c1-8-6-10-11(7-9(8)2)15-12(14-10)13(3,4)5;1-9-7-10-8-11(13(2,3)4)5-6-12(10)14-9;1-12(2,3)8-5-6-10-9(7-8)13(4)11(14)15-10;1-12(2,3)9-5-4-8-6-11(14)13-10(8)7-9;1-12(2,3)9-5-4-8-6-11(13)14-10(8)7-9;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-10(2,3)8-5-4-6-13-9(8)11-7-12-13/h6-7H,1-5H3,(H,14,15);5-8,14H,1-4H3;5-7H,1-4H3;4-5,7H,6H2,1-3H3,(H,13,14);4-5,7H,6H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-7H,1-3H3.
What are the key properties of 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine?
6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine has a molecular weight of 1325.84 g/mol, XLogP of 19.55, 0 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-3H-1-benzofuran-2-one;5-tert-butyl-2,3-dihydro-1-benzofuran;6-tert-butyl-1,3-dihydroindol-2-one;2-tert-butyl-5,6-dimethyl-1H-benzimidazole;5-tert-butyl-3-methyl-1,3-benzoxazol-2-one;5-tert-butyl-2-methyl-1H-indole;8-tert-butyl-[1,2,4]triazolo[1,5-a]pyridine is sourced from PubChem (CID 157231809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).