1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol

C139H205ClFN17O9S4 — CID 160661006

IUPAC1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol
SMILESCC(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.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1O.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1C.CN(CCN1CCCCC1)S(=O)(=O)c1ccccc1C(C)(C)C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C18H30N2O2S.C16H26N2O2S.C15H24N2O2S.C15H23NO3S.2C15H23N.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;1-13-12-18(11-10-17(13)5)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-12-11-17(10-9-16-12)20(18,19)14-8-6-5-7-13(14)15(2,3)4;1-11-9-16(10-13(11)17)20(18,19)14-8-6-5-7-12(14)15(2,3)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-8-5-6-9-10(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;6-9,13H,10-12H2,1-5H3;5-8,12,16H,9-11H2,1-4H3;5-8,11,13,17H,9-10H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;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
InChIKeyRLRBUUDJFSLOER-ZGGNISDRSA-N
MW2441.00 g/mol
LogP28.73
Rot. Bonds13

About 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol

1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol (PubChem CID 160661006) has the molecular formula C139H205ClFN17O9S4 and a molecular weight of 2441.00 g/mol. Its IUPAC name is 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol.

Molecular Properties

Compound Name1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol
PubChem CID160661006
Molecular FormulaC139H205ClFN17O9S4
Molecular Weight2441.00 g/mol
Exact Mass2438.47
IUPAC Name1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol
SMILESCC(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.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1O.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1C.CN(CCN1CCCCC1)S(=O)(=O)c1ccccc1C(C)(C)C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1
InChIInChI=1S/C18H30N2O2S.C16H26N2O2S.C15H24N2O2S.C15H23NO3S.2C15H23N.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;1-13-12-18(11-10-17(13)5)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-12-11-17(10-9-16-12)20(18,19)14-8-6-5-7-13(14)15(2,3)4;1-11-9-16(10-13(11)17)20(18,19)14-8-6-5-7-12(14)15(2,3)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-8-5-6-9-10(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;6-9,13H,10-12H2,1-5H3;5-8,12,16H,9-11H2,1-4H3;5-8,11,13,17H,9-10H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;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
InChIKeyRLRBUUDJFSLOER-ZGGNISDRSA-N
XLogP28.73
TPSA316.18 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds13
Heavy Atoms171
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002441.00
LogP ≤ 528.73
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Analyze 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
The IUPAC name of 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol (CID 160661006) is 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol.
What is the SMILES notation for 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
The canonical SMILES for 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol is 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.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CC1O.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1.CC1CN(S(=O)(=O)c2ccccc2C(C)(C)C)CCN1C.CN(CCN1CCCCC1)S(=O)(=O)c1ccccc1C(C)(C)C.Cc1ccc2nc(C(C)(C)C)[nH]c2c1.
What is the InChIKey of 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
The InChIKey is RLRBUUDJFSLOER-ZGGNISDRSA-N. The full InChI is InChI=1S/C18H30N2O2S.C16H26N2O2S.C15H24N2O2S.C15H23NO3S.2C15H23N.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;1-13-12-18(11-10-17(13)5)21(19,20)15-9-7-6-8-14(15)16(2,3)4;1-12-11-17(10-9-16-12)20(18,19)14-8-6-5-7-13(14)15(2,3)4;1-11-9-16(10-13(11)17)20(18,19)14-8-6-5-7-12(14)15(2,3)4;2*1-15(2,3)14-9-5-4-8-13(14)12-7-6-10-16-11-12;1-8-5-6-9-10(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;6-9,13H,10-12H2,1-5H3;5-8,12,16H,9-11H2,1-4H3;5-8,11,13,17H,9-10H2,1-4H3;2*4-5,8-9,12,16H,6-7,10-11H2,1-3H3;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;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol?
1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol has a molecular weight of 2441.00 g/mol, XLogP of 28.73, 13 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butylbenzimidazole;2-tert-butyl-6-chloro-1H-benzimidazole;2-tert-butyl-6-fluoro-1H-benzimidazole;2-tert-butyl-6-methyl-1H-benzimidazole;2-tert-butyl-N-methyl-N-(2-piperidin-1-ylethyl)benzenesulfonamide;(3S)-3-(2-tert-butylphenyl)piperidine;(3R)-3-(2-tert-butylphenyl)piperidine;4-(2-tert-butylphenyl)sulfonyl-1,2-dimethylpiperazine;1-(2-tert-butylphenyl)sulfonyl-3-methylpiperazine;1-(2-tert-butylphenyl)sulfonyl-4-methylpyrrolidin-3-ol is sourced from PubChem (CID 160661006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).