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

C210H341ClN22O13S5 — CID 162059471

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

1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane (PubChem CID 162059471) has the molecular formula C210H341ClN22O13S5 and a molecular weight of 3577.97 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane.

Molecular Properties

• Compound Name: 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane
• PubChem CID: 162059471
• Molecular Formula: C210H341ClN22O13S5
• Molecular Weight: 3577.97 g/mol
• Exact Mass: 3574.50
• IUPAC Name: 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane
• SMILES: C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(-c2cnc[nH]2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.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)n1cnc2ccccc21.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
• InChI: InChI=1S/C17H26N2O.C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H25NO2S.2C15H23N.C14H22N2O2S.C14H23NO2S.2C13H16N2.C12H16N2.C11H13ClN2.C11H14N2.12CH4/c1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;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;1-6-7-12-16(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;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;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;;;;;;;;;;;;/h5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);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);8-11H,6-7,12H2,1-5H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;7-10H,6,11H2,1-5H3;4-9H,1-3H3,(H,14,15);4-10H,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-8H,1-3H3;12*1H4/t;;;;;2*12-;;;;;;;;;;;;;;;;;;;/m.....10.................../s1
• InChIKey: YZQCWCWDUCNOBV-JHHLHYATSA-N
• XLogP: 50.69
• TPSA: 438.37 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 25
• Rotatable Bonds: 27
• Heavy Atoms: 251
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	3577.97
LogP ≤ 5	50.69
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	25

Computed Properties (RDKit)

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

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;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane?

The IUPAC name of 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane (CID 162059471) is 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane.

What is the SMILES notation for 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane?

The canonical SMILES for 1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane is C.C.C.C.C.C.C.C.C.C.C.C.CC(=O)Nc1cccc(C(C)(C)C)c1C1CCCNC1.CC(C)(C)c1cccc(-c2cnc[nH]2)c1.CC(C)(C)c1cccc(-n2ccnc2)c1.CC(C)(C)c1cccc(C(=O)NCCCCCO)c1.CC(C)(C)c1ccccc1S(=O)(=O)N1CCNCC1.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)n1cnc2ccccc21.CC1CCCCN1S(=O)(=O)c1ccccc1C(C)(C)C.CC1CN(C)CCN1S(=O)(=O)c1ccccc1C(C)(C)C.CCCCN(C)S(=O)(=O)c1ccccc1C(C)(C)C.CCCN(C)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;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane?

The InChIKey is YZQCWCWDUCNOBV-JHHLHYATSA-N. The full InChI is InChI=1S/C17H26N2O.C16H26N2O2S.C16H25NO2S.C16H25NO2.C15H25NO2S.2C15H23N.C14H22N2O2S.C14H23NO2S.2C13H16N2.C12H16N2.C11H13ClN2.C11H14N2.12CH4/c1-12(20)19-15-9-5-8-14(17(2,3)4)16(15)13-7-6-10-18-11-13;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;1-6-7-12-16(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;1-14(2,3)12-6-4-5-7-13(12)19(17,18)16-10-8-15-9-11-16;1-6-11-15(5)18(16,17)13-10-8-7-9-12(13)14(2,3)4;1-13(2,3)11-6-4-5-10(7-11)12-8-14-9-15-12;1-13(2,3)11-5-4-6-12(9-11)15-8-7-14-10-15;1-8-5-6-9-10(7-8)14-11(13-9)12(2,3)4;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;;;;;;;;;;;;/h5,8-9,13,18H,6-7,10-11H2,1-4H3,(H,19,20);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);8-11H,6-7,12H2,1-5H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;4-7,15H,8-11H2,1-3H3;7-10H,6,11H2,1-5H3;4-9H,1-3H3,(H,14,15);4-10H,1-3H3;5-7H,1-4H3,(H,13,14);4-6H,1-3H3,(H,13,14);4-8H,1-3H3;12*1H4/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;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane?

1-tert-butylbenzimidazole;N-butyl-2-tert-butyl-N-methylbenzenesulfonamide;2-tert-butyl-6-chloro-1H-benzimidazole;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane has a molecular weight of 3577.97 g/mol, XLogP of 50.69, 27 rotatable bonds, 10 hydrogen bond donors, and 25 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;3-tert-butyl-N-(5-hydroxypentyl)benzamide;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-propylbenzenesulfonamide;1-(3-tert-butylphenyl)imidazole;5-(3-tert-butylphenyl)-1H-imidazole;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;1-(2-tert-butylphenyl)sulfonyl-2,4-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-2-methylpiperidine;1-(2-tert-butylphenyl)sulfonylpiperazine;N-(3-tert-butyl-2-piperidin-3-ylphenyl)acetamide;methane is sourced from PubChem (CID 162059471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).