6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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

C128H189BrF3N15O7 — CID 159548016

IUPAC6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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
SMILESCC(=O)N(C)CCCc1cc(C(C)(C)C)ccn1.CC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.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.Cn1nc(NC2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C20H31NO2.C17H27NO2.C15H24N2O.C14H21F3N2.C14H16O.C13H23N3O.C13H15N.C11H13BrN2.C11H19N3/c1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)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/h7-10,17H,11-14H2,1-6H3;4-7,16,19H,8-13H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;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)
InChIKeyMFAROSKAWOQGBK-UHFFFAOYSA-N
MW2186.92 g/mol
LogP28.53
Rot. Bonds20

About 6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 159548016) has the molecular formula C128H189BrF3N15O7 and a molecular weight of 2186.92 g/mol. Its IUPAC name is 6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 Name6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 CID159548016
Molecular FormulaC128H189BrF3N15O7
Molecular Weight2186.92 g/mol
Exact Mass2184.40
IUPAC Name6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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
SMILESCC(=O)N(C)CCCc1cc(C(C)(C)C)ccn1.CC(C)(C)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.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.Cn1nc(NC2CCOCC2)cc1C(C)(C)C
InChIInChI=1S/C20H31NO2.C17H27NO2.C15H24N2O.C14H21F3N2.C14H16O.C13H23N3O.C13H15N.C11H13BrN2.C11H19N3/c1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)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/h7-10,17H,11-14H2,1-6H3;4-7,16,19H,8-13H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;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)
InChIKeyMFAROSKAWOQGBK-UHFFFAOYSA-N
XLogP28.53
TPSA272.18 Ų
H-Bond Donors7
H-Bond Acceptors19
Rotatable Bonds20
Heavy Atoms154
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002186.92
LogP ≤ 528.53
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1019

Computed Properties (RDKit)

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

Analyze 6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 159548016) is 6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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)C(=O)N1CCC(Oc2ccc(C(C)(C)C)cc2)CC1.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.Cn1nc(NC2CCOCC2)cc1C(C)(C)C.
What is the InChIKey of 6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 MFAROSKAWOQGBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31NO2.C17H27NO2.C15H24N2O.C14H21F3N2.C14H16O.C13H23N3O.C13H15N.C11H13BrN2.C11H19N3/c1-19(2,3)15-7-9-16(10-8-15)23-17-11-13-21(14-12-17)18(22)20(4,5)6;1-17(2,3)14-4-6-15(7-5-14)20-16-8-10-18(11-9-16)12-13-19;1-12(18)17(5)10-6-7-14-11-13(8-9-16-14)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/h7-10,17H,11-14H2,1-6H3;4-7,16,19H,8-13H2,1-3H3;8-9,11H,6-7,10H2,1-5H3;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;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 2186.92 g/mol, XLogP of 28.53, 20 rotatable bonds, 7 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-tert-butyl-1H-benzimidazole;5-tert-butyl-1-methyl-N-(oxan-4-yl)pyrazol-3-amine;6-tert-butylnaphthalen-2-ol;1-[4-(4-tert-butylphenoxy)piperidin-1-yl]-2,2-dimethylpropan-1-one;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 159548016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).