2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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

C151H222N8O — CID 157100647

IUPAC2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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)c1ccc2ccn(C(C)(C)C)c2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2oc(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.C16H23N.C15H22N2.C15H21NO/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)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;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;7-11H,1-6H3;7-9H,1-6H3,(H,16,17);7-9H,1-6H3
InChIKeyAFSNHUWAXUIZDI-UHFFFAOYSA-N
MW2165.49 g/mol
LogP42.15
Rot. Bonds3

About 2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;1,6-ditert-butylindole;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 157100647) has the molecular formula C151H222N8O and a molecular weight of 2165.49 g/mol. Its IUPAC name is 2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;1,6-ditert-butylindole;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 CID157100647
Molecular FormulaC151H222N8O
Molecular Weight2165.49 g/mol
Exact Mass2163.76
IUPAC Name2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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)c1ccc2ccn(C(C)(C)C)c2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2oc(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.C16H23N.C15H22N2.C15H21NO/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)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;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;7-11H,1-6H3;7-9H,1-6H3,(H,16,17);7-9H,1-6H3
InChIKeyAFSNHUWAXUIZDI-UHFFFAOYSA-N
XLogP42.15
TPSA75.98 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms160
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5002165.49
LogP ≤ 542.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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

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

Launch Full Analysis

Related Compounds

methyl N-[(1S)-1-[(2S,4S)-2-[4-[4-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1,3-benzoxazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53482508
methyl N-[(1S)-1-[(2S,4S)-2-[5-[4-[2-[(2S,4S)-1-[(2S)-2-(methoxycarbonylamino)-3-methyl-butanoyl]-4-methyl-pyrrolidin-2-yl]-1H-benzimidazol-5-yl]phenyl]-1,3-benzoxazol-2-yl]-4-methyl-pyrrolidine-1-carbonyl]-2-methyl-propyl]carbamate
CID 53491521
(2R)-2-(dimethylamino)-1-[(2S)-2-[5-[2-[2-[(2S)-1-[(2R)-2-(dimethylamino)-2-phenyl-acetyl]pyrrolidin-2-yl]-1H-benzimidazol-5-yl]oxazol-5-yl]-1H-benzimidazol-2-yl]pyrrolidin-1-yl]-2-phenyl-ethanone
CID 59237076
US11053243, Example 213
CID 67949560
US10596184, Example 54
CID 122447475
US10022387, Example 53
CID 122447482
5-(4-(1-Phenyl-1H-benzo[d]imidazol-2-yl)phenyl)-2-(quinolin-6-yl)benzo[d]oxazole
CID 90257208
(2S)-2-amino-1-[(2S)-2-[7-[5-[2-[(2S)-1-[(2S)-2-amino-3-methylbutanoyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-3-fluoro-1-benzofuran-2-yl]-3H-benzo[e]benzimidazol-2-yl]pyrrolidin-1-yl]-3-methylbutan-1-one
CID 68274171
1-benzyl-3-methyl-2-(2-methylphenyl)benzimidazol-3-ium;2,3-dimethyl-1-(2-methylphenyl)pyrazol-1-ium;5-fluoro-1-phenyl-3-(1,1,3,3-tetrafluorobutyl)-4-(trifluoromethyl)pyrazole;3-methyl-2-(2-methylphenyl)-1H-benzimidazol-3-ium;3-methyl-2-(2-methylphenyl)-1,3-benzoxazol-3-ium
CID 158510048
CID 158785452
CID 158785452
benzene;benzylbenzene;1,1'-biphenyl;3,3-difluoropentane;1,1-diphenylethylbenzene;9,9-diphenylfluorene;ethane;(1,1,1,3,3,3-hexafluoro-2-phenylpropan-2-yl)benzene;methane;methanethiol;2-methyl-5-(2-methyl-1,3-benzoxazol-5-yl)-1,3-benzoxazole;5-methyl-2-[4-(5-methyl-4-phenyl-1H-imidazol-3-ium-2-yl)phenyl]-4-phenyl-1H-imidazole;naphthalene;pentane;2-phenylbutan-2-ylbenzene;2-phenylpropan-2-ylbenzene;2,4,5-triphenyl-1H-imidazole
CID 159321143
CID 159821325
CID 159821325

Frequently Asked Questions

What is the IUPAC name of 2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;1,6-ditert-butylindole;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 157100647) is 2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;1,6-ditert-butylindole;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;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;1,6-ditert-butylindole;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)c1ccc2ccn(C(C)(C)C)c2c1.CC(C)(C)c1ccc2nc(C(C)(C)C)[nH]c2c1.CC(C)(C)c1ccc2oc(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;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;1,6-ditert-butylindole;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 AFSNHUWAXUIZDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32N2.C17H27N.C17H25N.3C17H24.C16H23N.C15H22N2.C15H21NO/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)13-8-7-12-9-10-17(14(12)11-13)16(4,5)6;1-14(2,3)10-7-8-11-12(9-10)17-13(16-11)15(4,5)6;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;7-11H,1-6H3;7-9H,1-6H3,(H,16,17);7-9H,1-6H3.
What are the key properties of 2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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;2,5-ditert-butyl-1,3-benzoxazole;2,5-ditert-butyl-1H-indene;3,5-ditert-butyl-1H-indene;3,6-ditert-butyl-1H-indene;1,6-ditert-butylindole;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 2165.49 g/mol, XLogP of 42.15, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-ditert-butyl-1H-benzimidazole;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;1,6-ditert-butylindole;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 157100647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).