2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine

C247H305Cl11N32O5S4 — CID 158187619

IUPAC2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2c(Cl)cccc2s1.CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2c(N)nccc2[nH]1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2cncc(Cl)c2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2nc(N)ccc2[nH]1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2cccc(Cl)c2o1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cn1c(C(C)(C)C)cc2c(Cl)nccc21.Cn1c(C(C)(C)C)cc2c(N)nccc21.Cn1c(C(C)(C)C)cc2cncc(Cl)c21.Cn1c(C(C)(C)C)cc2cnccc21.Cn1c(C(C)(C)C)cc2nc(N)ccc21.Cn1c(C(C)(C)C)cc2ncccc21.Cn1cc(Cl)c2ccc(C(C)(C)C)cc21.Cn1cc(N)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H16ClN.C13H18N2.2C12H15ClN2.2C12H13ClO.2C12H13ClS.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.2C11H13ClN2.2C11H12ClNO.2C11H15N3.C11H13NS/c2*1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;1-12(2,3)10-5-8-6-14-7-9(13)11(8)15(10)4;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)10-7-8-9(15(10)4)5-6-11(13)14-8;1-12(2,3)11-7-9-8-13-6-5-10(9)14(11)4;1-12(2,3)11-8-9-10(14(11)4)6-5-7-13-9;2*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)9-6-8-7(13-9)4-5-10(12)14-8;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h5-8H,1-4H3;5-8H,14H2,1-4H3;2*5-7H,1-4H3;4*4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);2*5-8H,1-4H3;2*5-7H,1-4H3;2*4-6,14H,1-3H3;2*4-6H,1-3H3;4-6,14H,1-3H3,(H2,12,13);4-6,13H,1-3H3,(H2,12,14);4-7H,1-3H3
InChIKeyFZIMJFNVEIZTFT-UHFFFAOYSA-N
MW4320.63 g/mol
LogP73.75
Rot. Bonds

About 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine

2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine (PubChem CID 158187619) has the molecular formula C247H305Cl11N32O5S4 and a molecular weight of 4320.63 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine
PubChem CID158187619
Molecular FormulaC247H305Cl11N32O5S4
Molecular Weight4320.63 g/mol
Exact Mass4312.01
IUPAC Name2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2c(Cl)cccc2s1.CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2c(N)nccc2[nH]1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2cncc(Cl)c2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2nc(N)ccc2[nH]1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2cccc(Cl)c2o1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cn1c(C(C)(C)C)cc2c(Cl)nccc21.Cn1c(C(C)(C)C)cc2c(N)nccc21.Cn1c(C(C)(C)C)cc2cncc(Cl)c21.Cn1c(C(C)(C)C)cc2cnccc21.Cn1c(C(C)(C)C)cc2nc(N)ccc21.Cn1c(C(C)(C)C)cc2ncccc21.Cn1cc(Cl)c2ccc(C(C)(C)C)cc21.Cn1cc(N)c2ccc(C(C)(C)C)cc21
InChIInChI=1S/C13H16ClN.C13H18N2.2C12H15ClN2.2C12H13ClO.2C12H13ClS.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.2C11H13ClN2.2C11H12ClNO.2C11H15N3.C11H13NS/c2*1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;1-12(2,3)10-5-8-6-14-7-9(13)11(8)15(10)4;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)10-7-8-9(15(10)4)5-6-11(13)14-8;1-12(2,3)11-7-9-8-13-6-5-10(9)14(11)4;1-12(2,3)11-8-9-10(14(11)4)6-5-7-13-9;2*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)9-6-8-7(13-9)4-5-10(12)14-8;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h5-8H,1-4H3;5-8H,14H2,1-4H3;2*5-7H,1-4H3;4*4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);2*5-8H,1-4H3;2*5-7H,1-4H3;2*4-6,14H,1-3H3;2*4-6H,1-3H3;4-6,14H,1-3H3,(H2,12,13);4-6,13H,1-3H3,(H2,12,14);4-7H,1-3H3
InChIKeyFZIMJFNVEIZTFT-UHFFFAOYSA-N
XLogP73.75
TPSA491.75 Ų
H-Bond Donors9
H-Bond Acceptors37
Rotatable Bonds
Heavy Atoms299
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004320.63
LogP ≤ 573.75
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1037

Analyze 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine (CID 158187619) is 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine is CC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2c(Cl)cccc2s1.CC(C)(C)c1cc2c(Cl)nccc2[nH]1.CC(C)(C)c1cc2c(N)nccc2[nH]1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2cncc(Cl)c2[nH]1.CC(C)(C)c1cc2cnccc2s1.CC(C)(C)c1cc2nc(N)ccc2[nH]1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2cccc(Cl)c2o1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cn1c(C(C)(C)C)cc2c(Cl)nccc21.Cn1c(C(C)(C)C)cc2c(N)nccc21.Cn1c(C(C)(C)C)cc2cncc(Cl)c21.Cn1c(C(C)(C)C)cc2cnccc21.Cn1c(C(C)(C)C)cc2nc(N)ccc21.Cn1c(C(C)(C)C)cc2ncccc21.Cn1cc(Cl)c2ccc(C(C)(C)C)cc21.Cn1cc(N)c2ccc(C(C)(C)C)cc21.
What is the InChIKey of 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine?
The InChIKey is FZIMJFNVEIZTFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN.C13H18N2.2C12H15ClN2.2C12H13ClO.2C12H13ClS.2C12H17N3.2C12H16N2.C12H15NO.C12H15NS.2C11H13ClN2.2C11H12ClNO.2C11H15N3.C11H13NS/c2*1-13(2,3)9-5-6-10-11(14)8-15(4)12(10)7-9;1-12(2,3)10-5-8-6-14-7-9(13)11(8)15(10)4;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)10-7-8-9(15(10)4)5-6-14-11(8)13;1-12(2,3)10-7-8-9(15(10)4)5-6-11(13)14-8;1-12(2,3)11-7-9-8-13-6-5-10(9)14(11)4;1-12(2,3)11-8-9-10(14(11)4)6-5-7-13-9;2*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-11(2,3)9-4-7-5-13-6-8(12)10(7)14-9;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)10-13-9-7(12)5-4-6-8(9)14-10;1-11(2,3)10-13-8-6-4-5-7(12)9(8)14-10;1-11(2,3)9-6-7-8(14-9)4-5-13-10(7)12;1-11(2,3)9-6-8-7(13-9)4-5-10(12)14-8;1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h5-8H,1-4H3;5-8H,14H2,1-4H3;2*5-7H,1-4H3;4*4-7H,1-3H3;2*5-7H,1-4H3,(H2,13,14);2*5-8H,1-4H3;2*5-7H,1-4H3;2*4-6,14H,1-3H3;2*4-6H,1-3H3;4-6,14H,1-3H3,(H2,12,13);4-6,13H,1-3H3,(H2,12,14);4-7H,1-3H3.
What are the key properties of 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine?
2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine has a molecular weight of 4320.63 g/mol, XLogP of 73.75, 0 rotatable bonds, 9 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-4-chloro-1-benzothiophene;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;6-tert-butyl-3-chloro-1-methylindole;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-7-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;6-tert-butyl-1-methylindol-3-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1-methylpyrrolo[3,2-b]pyridine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridin-4-amine;2-tert-butyl-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine;2-tert-butylthieno[3,2-c]pyridine is sourced from PubChem (CID 158187619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).