4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

C185H258N14O8S — CID 158997155

IUPAC4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCC2)c1.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1ccnc(CCC2CCNCC2)c1.CC(C)(C)c1ccnc(CCC2CNCCO2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.COc1ccc2oc(C(C)(C)C)cc2c1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H27N.2C16H26N2.C15H24N2O.C14H20.C13H17N.C13H16O2.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)12-6-7-17-13(10-12)4-5-14-11-16-8-9-18-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h11-14H,4-10H2,1-3H3;8,11-13,17H,4-7,9-10H2,1-3H3;9,11-12,14,17H,4-8,10H2,1-3H3;6-7,10,14,16H,4-5,8-9,11H2,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyJQWLNNUBUNWMBW-UHFFFAOYSA-N
MW2838.26 g/mol
LogP46.27
Rot. Bonds13

About 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene

4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 158997155) has the molecular formula C185H258N14O8S and a molecular weight of 2838.26 g/mol. Its IUPAC name is 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
PubChem CID158997155
Molecular FormulaC185H258N14O8S
Molecular Weight2838.26 g/mol
Exact Mass2835.99
IUPAC Name4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene
SMILESCC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCC2)c1.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1ccnc(CCC2CCNCC2)c1.CC(C)(C)c1ccnc(CCC2CNCCO2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.COc1ccc2oc(C(C)(C)C)cc2c1.Cn1cc(C(C)(C)C)c2ccccc21
InChIInChI=1S/C17H27N.2C16H26N2.C15H24N2O.C14H20.C13H17N.C13H16O2.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)12-6-7-17-13(10-12)4-5-14-11-16-8-9-18-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h11-14H,4-10H2,1-3H3;8,11-13,17H,4-7,9-10H2,1-3H3;9,11-12,14,17H,4-8,10H2,1-3H3;6-7,10,14,16H,4-5,8-9,11H2,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3
InChIKeyJQWLNNUBUNWMBW-UHFFFAOYSA-N
XLogP46.27
TPSA253.47 Ų
H-Bond Donors5
H-Bond Acceptors21
Rotatable Bonds13
Heavy Atoms208
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002838.26
LogP ≤ 546.27
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1021

Analyze 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene (CID 158997155) is 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is CC(C)(C)c1[nH]nc2ccccc12.CC(C)(C)c1ccc2c(c1)CCCC2.CC(C)(C)c1ccc2c(c1)CCO2.CC(C)(C)c1ccc2c(c1)OCO2.CC(C)(C)c1cccc2[nH]cnc12.CC(C)(C)c1cccc2c1OCCO2.CC(C)(C)c1ccnc(CCC2CCCCC2)c1.CC(C)(C)c1ccnc(CCC2CCCCN2)c1.CC(C)(C)c1ccnc(CCC2CCNCC2)c1.CC(C)(C)c1ccnc(CCC2CNCCO2)c1.CC(C)(C)c1cnc2ccccc2n1.CC(C)(C)c1csc2ccccc12.COc1ccc2oc(C(C)(C)C)cc2c1.Cn1cc(C(C)(C)C)c2ccccc21.
What is the InChIKey of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is JQWLNNUBUNWMBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N.2C16H26N2.C15H24N2O.C14H20.C13H17N.C13H16O2.C12H14N2.C12H16O2.C12H16O.C12H14S.2C11H14N2.C11H14O2/c1-17(2,3)15-11-12-18-16(13-15)10-9-14-7-5-4-6-8-14;1-16(2,3)14-8-11-18-15(12-14)5-4-13-6-9-17-10-7-13;1-16(2,3)13-9-11-18-15(12-13)8-7-14-6-4-5-10-17-14;1-15(2,3)12-6-7-17-13(10-12)4-5-14-11-16-8-9-18-14;1-14(2,3)13-9-8-11-6-4-5-7-12(11)10-13;1-13(2,3)11-9-14(4)12-8-6-5-7-10(11)12;1-13(2,3)12-8-9-7-10(14-4)5-6-11(9)15-12;1-12(2,3)11-8-13-9-6-4-5-7-10(9)14-11;1-12(2,3)9-5-4-6-10-11(9)14-8-7-13-10;1-12(2,3)10-4-5-11-9(8-10)6-7-13-11;1-12(2,3)10-8-13-11-7-5-4-6-9(10)11;1-11(2,3)8-5-4-6-9-10(8)13-7-12-9;1-11(2,3)10-8-6-4-5-7-9(8)12-13-10;1-11(2,3)8-4-5-9-10(6-8)13-7-12-9/h11-14H,4-10H2,1-3H3;8,11-13,17H,4-7,9-10H2,1-3H3;9,11-12,14,17H,4-8,10H2,1-3H3;6-7,10,14,16H,4-5,8-9,11H2,1-3H3;8-10H,4-7H2,1-3H3;5-9H,1-4H3;5-8H,1-4H3;4-8H,1-3H3;4-6H,7-8H2,1-3H3;4-5,8H,6-7H2,1-3H3;4-8H,1-3H3;2*4-7H,1-3H3,(H,12,13);4-6H,7H2,1-3H3.
What are the key properties of 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene?
4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 2838.26 g/mol, XLogP of 46.27, 13 rotatable bonds, 5 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1H-benzimidazole;5-tert-butyl-1,3-benzodioxole;3-tert-butyl-1-benzothiophene;4-tert-butyl-2-(2-cyclohexylethyl)pyridine;5-tert-butyl-2,3-dihydro-1,4-benzodioxine;5-tert-butyl-2,3-dihydro-1-benzofuran;3-tert-butyl-2H-indazole;2-tert-butyl-5-methoxy-1-benzofuran;3-tert-butyl-1-methylindole;4-tert-butyl-2-(2-piperidin-2-ylethyl)pyridine;4-tert-butyl-2-(2-piperidin-4-ylethyl)pyridine;2-[2-(4-tert-butyl-2-pyridinyl)ethyl]morpholine;2-tert-butylquinoxaline;6-tert-butyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 158997155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).