1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide

C218H332ClFN24O17S7 — CID 158168577

IUPAC1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC(C)(C)c1ccccc1[C@@H]1CCCNC1.CC(C)(C)c1ccccc1[C@H]1CCCNC1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)(C)c1nc2ccc(F)cc2[nH]1.CC(C)(C)n1cnc2ccccc21.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN(CCN1CCCCC1)S(=O)(=O)c1ccccc1C(C)(C)C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C18H30N2O2S.C17H26N2O.2C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H24N2O2S.C15H25NO2S.2C15H23N.C14H23NO2S.C12H16N2.C11H13ClN2.C11H13FN2.C11H14N2/c1-18(2,3)16-10-6-7-11-17(16)23(21,22)19(4)14-15-20-12-8-5-9-13-20;1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;1-13-12-18(11-10-17(13)5)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-12-17(5)10-11-18(13)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-9-7-8-12-17(13)20(18,19)15-11-6-5-10-14(15)16(2,3)4;1-16(2,3)14-9-7-8-13(12-14)15(19)17-10-5-4-6-11-18;1-12-11-17(10-9-16-12)20(18,19)14-8-6-5-7-13(14)15(2,3)4;1-6-7-12-16(5)19(17,18)14-11-9-8-10-13(14)15(2,3)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;2*1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13/h6-7,10-11H,5,8-9,12-15H2,1-4H3;5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);2*6-9,13H,10-12H2,1-5H3;5-6,10-11,13H,7-9,12H2,1-4H3;7-9,12,18H,4-6,10-11H2,1-3H3,(H,17,19);5-8,12,16H,9-11H2,1-4H3;8-11H,6-7,12H2,1-5H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;7-10H,6,11H2,1-5H3;5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-8H,1-3H3/t;;;;;;;;2*12-;;;;;/m........10...../s1
InChIKeyFXDQZPGXIONCRA-RQIJVKRMSA-N
MW3840.12 g/mol
LogP45.30
Rot. Bonds32

About 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide

1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide (PubChem CID 158168577) has the molecular formula C218H332ClFN24O17S7 and a molecular weight of 3840.12 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
PubChem CID158168577
Molecular FormulaC218H332ClFN24O17S7
Molecular Weight3840.12 g/mol
Exact Mass3836.36
IUPAC Name1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide
SMILESCC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC(C)(C)c1ccccc1[C@@H]1CCCNC1.CC(C)(C)c1ccccc1[C@H]1CCCNC1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)(C)c1nc2ccc(F)cc2[nH]1.CC(C)(C)n1cnc2ccccc21.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN(CCN1CCCCC1)S(=O)(=O)c1ccccc1C(C)(C)C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C18H30N2O2S.C17H26N2O.2C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H24N2O2S.C15H25NO2S.2C15H23N.C14H23NO2S.C12H16N2.C11H13ClN2.C11H13FN2.C11H14N2/c1-18(2,3)16-10-6-7-11-17(16)23(21,22)19(4)14-15-20-12-8-5-9-13-20;1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;1-13-12-18(11-10-17(13)5)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-12-17(5)10-11-18(13)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-9-7-8-12-17(13)20(18,19)15-11-6-5-10-14(15)16(2,3)4;1-16(2,3)14-9-7-8-13(12-14)15(19)17-10-5-4-6-11-18;1-12-11-17(10-9-16-12)20(18,19)14-8-6-5-7-13(14)15(2,3)4;1-6-7-12-16(5)19(17,18)14-11-9-8-10-13(14)15(2,3)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;2*1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13/h6-7,10-11H,5,8-9,12-15H2,1-4H3;5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);2*6-9,13H,10-12H2,1-5H3;5-6,10-11,13H,7-9,12H2,1-4H3;7-9,12,18H,4-6,10-11H2,1-3H3,(H,17,19);5-8,12,16H,9-11H2,1-4H3;8-11H,6-7,12H2,1-5H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;7-10H,6,11H2,1-5H3;5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-8H,1-3H3/t;;;;;;;;2*12-;;;;;/m........10...../s1
InChIKeyFXDQZPGXIONCRA-RQIJVKRMSA-N
XLogP45.30
TPSA501.79 Ų
H-Bond Donors10
H-Bond Acceptors29
Rotatable Bonds32
Heavy Atoms268
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5003840.12
LogP ≤ 545.30
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1029

Computed Properties (RDKit)

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

Analyze 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
The IUPAC name of 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide (CID 158168577) is 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide.
What is the SMILES notation for 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
The canonical SMILES for 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide is CC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC(C)(C)c1ccccc1[C@@H]1CCCNC1.CC(C)(C)c1ccccc1[C@H]1CCCNC1.CC(C)(C)c1nc2ccc(Cl)cc2[nH]1.CC(C)(C)c1nc2ccc(F)cc2[nH]1.CC(C)(C)n1cnc2ccccc21.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CN(CCN1CCCCC1)S(=O)(=O)c1ccccc1C(C)(C)C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
The InChIKey is FXDQZPGXIONCRA-RQIJVKRMSA-N. The full InChI is InChI=1S/C18H30N2O2S.C17H26N2O.2C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H24N2O2S.C15H25NO2S.2C15H23N.C14H23NO2S.C12H16N2.C11H13ClN2.C11H13FN2.C11H14N2/c1-18(2,3)16-10-6-7-11-17(16)23(21,22)19(4)14-15-20-12-8-5-9-13-20;1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;1-13-12-18(11-10-17(13)5)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-12-17(5)10-11-18(13)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-13-9-7-8-12-17(13)20(18,19)15-11-6-5-10-14(15)16(2,3)4;1-16(2,3)14-9-7-8-13(12-14)15(19)17-10-5-4-6-11-18;1-12-11-17(10-9-16-12)20(18,19)14-8-6-5-7-13(14)15(2,3)4;1-6-7-12-16(5)19(17,18)14-11-9-8-10-13(14)15(2,3)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;2*1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)13-8-12-9-6-4-5-7-10(9)13/h6-7,10-11H,5,8-9,12-15H2,1-4H3;5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);2*6-9,13H,10-12H2,1-5H3;5-6,10-11,13H,7-9,12H2,1-4H3;7-9,12,18H,4-6,10-11H2,1-3H3,(H,17,19);5-8,12,16H,9-11H2,1-4H3;8-11H,6-7,12H2,1-5H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;7-10H,6,11H2,1-5H3;5-7H,1-4H3,(H,13,14);2*4-6H,1-3H3,(H,13,14);4-8H,1-3H3/t;;;;;;;;2*12-;;;;;/m........10...../s1.
What are the key properties of 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide?
1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide has a molecular weight of 3840.12 g/mol, XLogP of 45.30, 32 rotatable bonds, 10 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide is sourced from PubChem (CID 158168577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).