6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline

C139H206BrF3N16O7 — CID 157226880

About 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline

6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline (PubChem CID 157226880) has the molecular formula C139H206BrF3N16O7 and a molecular weight of 2350.18 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline.

Molecular Properties

• Compound Name: 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
• PubChem CID: 157226880
• Molecular Formula: C139H206BrF3N16O7
• Molecular Weight: 2350.18 g/mol
• Exact Mass: 2347.54
• IUPAC Name: 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline
• SMILES: CC(=O)N(C)CCCc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(CCCNCC(F)(F)F)c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C.Cn1nc(NC2CCOCC2)cc1C(C)(C)C
• InChI: InChI=1S/C17H27NO2.C16H25NO.C15H24N2O.C15H23NO.C14H21F3N2.C14H16O.C13H23N3O.C13H15N.C11H13BrN2.C11H19N3/c1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)15(2,3)4;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-13(2,3)11-6-8-19-12(9-11)5-4-7-18-10-14(15,16)17;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-9-12(15-16(11)4)14-10-5-7-17-8-6-10;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12/h4-7,16,19H,8-13H2,1-3H3;10-11,13H,5-9H2,1-4H3;8-9,11H,6-7,10H2,1-5H3;8-9,12H,5-7,10H2,1-4H3;6,8-9,18H,4-5,7,10H2,1-3H3;4-9,15H,1-3H3;9-10H,5-8H2,1-4H3,(H,14,15);4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14)
• InChIKey: ATQJIGQVTGQMPM-UHFFFAOYSA-N
• XLogP: 31.05
• TPSA: 286.88 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 21
• Rotatable Bonds: 22
• Heavy Atoms: 166
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2350.18
LogP ≤ 5	31.05
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	21

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?

The IUPAC name of 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline (CID 157226880) is 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline.

What is the SMILES notation for 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?

The canonical SMILES for 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline is CC(=O)N(C)CCCc1cc(C(C)(C)C)ccn1.CC(C)(C)c1ccc(OC2CCN(CCO)CC2)cc1.CC(C)(C)c1ccc2cc(O)ccc2c1.CC(C)(C)c1ccnc(CCCNCC(F)(F)F)c1.CC(C)(C)c1ccnc(NCCN)c1.CC(C)(C)c1cnc2ccccc2c1.CC(C)(C)c1nc2ccc(Br)cc2[nH]1.Cc1cnc(CC2CCOC2)cc1C(C)(C)C.Cc1cnc(CC2CCOCC2)cc1C(C)(C)C.Cn1nc(NC2CCOCC2)cc1C(C)(C)C.

What is the InChIKey of 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?

The InChIKey is ATQJIGQVTGQMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27NO2.C16H25NO.C15H24N2O.C15H23NO.C14H21F3N2.C14H16O.C13H23N3O.C13H15N.C11H13BrN2.C11H19N3/c1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-12-11-17-14(10-15(12)16(2,3)4)9-13-5-7-18-8-6-13;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)15(2,3)4;1-11-9-16-13(7-12-5-6-17-10-12)8-14(11)15(2,3)4;1-13(2,3)11-6-8-19-12(9-11)5-4-7-18-10-14(15,16)17;1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12;1-13(2,3)11-9-12(15-16(11)4)14-10-5-7-17-8-6-10;1-13(2,3)11-8-10-6-4-5-7-12(10)14-9-11;1-11(2,3)10-13-8-5-4-7(12)6-9(8)14-10;1-11(2,3)9-4-6-13-10(8-9)14-7-5-12/h4-7,16,19H,8-13H2,1-3H3;10-11,13H,5-9H2,1-4H3;8-9,11H,6-7,10H2,1-5H3;8-9,12H,5-7,10H2,1-4H3;6,8-9,18H,4-5,7,10H2,1-3H3;4-9,15H,1-3H3;9-10H,5-8H2,1-4H3,(H,14,15);4-9H,1-3H3;4-6H,1-3H3,(H,13,14);4,6,8H,5,7,12H2,1-3H3,(H,13,14).

What are the key properties of 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline?

6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline has a molecular weight of 2350.18 g/mol, XLogP of 31.05, 22 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.

Where does this data come from?

All data for 6-bromo-2-tert-butyl-1H-benzimidazole;4-tert-butyl-5-methyl-2-(oxan-4-ylmethyl)pyridine;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;4-tert-butyl-5-methyl-2-(oxolan-3-ylmethyl)pyridine;6-tert-butylnaphthalen-2-ol;2-[4-(4-tert-butylphenoxy)piperidin-1-yl]ethanol;N'-(4-tert-butyl-2-pyridinyl)ethane-1,2-diamine;N-[3-(4-tert-butyl-2-pyridinyl)propyl]-N-methylacetamide;3-(4-tert-butyl-2-pyridinyl)-N-(2,2,2-trifluoroethyl)propan-1-amine;3-tert-butylquinoline is sourced from PubChem (CID 157226880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).