2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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

C233H280Cl11N27O5S5 — CID 157248363

IUPAC2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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
SMILESCC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2nc(N)ccc2[nH]1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2nc(N)[nH]c2c1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2o1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1cnc2cc(C(C)(C)C)ccn12.Cc1nc(N)ccc1C(C)(C)C.Cn1c(C(C)(C)C)cc2cnccc21
InChIInChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C12H14ClN.2C12H13ClO.C12H13ClS.2C12H16N2.C12H15NO.C12H15NS.C12H15N.2C11H12ClNO.3C11H12ClNS.C11H15N3.C10H14N4.C10H16N2/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;2*1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-7-9-8-13-6-5-10(9)14(11)4;1-9-8-13-11-7-10(12(2,3)4)5-6-14(9)11;2*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;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;2*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)9-6-8-7(13-9)4-5-10(12)14-8;1-10(2,3)6-4-7-8(12-5-6)14-9(11)13-7;1-7-8(10(2,3)4)5-6-9(11)12-7/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4,6-7H,5H2,1-3H3;3*4-7H,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;5*4-6H,1-3H3;4-6,13H,1-3H3,(H2,12,14);4-5H,1-3H3,(H3,11,12,13,14);5-6H,1-4H3,(H2,11,12)
InChIKeyAWAYCLGYEPGBRE-UHFFFAOYSA-N
MW4089.30 g/mol
LogP71.15
Rot. Bonds

About 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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 (PubChem CID 157248363) has the molecular formula C233H280Cl11N27O5S5 and a molecular weight of 4089.30 g/mol. Its IUPAC name is 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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.

Molecular Properties

Compound Name2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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
PubChem CID157248363
Molecular FormulaC233H280Cl11N27O5S5
Molecular Weight4089.30 g/mol
Exact Mass4080.77
IUPAC Name2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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
SMILESCC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2nc(N)ccc2[nH]1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2nc(N)[nH]c2c1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2o1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1cnc2cc(C(C)(C)C)ccn12.Cc1nc(N)ccc1C(C)(C)C.Cn1c(C(C)(C)C)cc2cnccc21
InChIInChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C12H14ClN.2C12H13ClO.C12H13ClS.2C12H16N2.C12H15NO.C12H15NS.C12H15N.2C11H12ClNO.3C11H12ClNS.C11H15N3.C10H14N4.C10H16N2/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;2*1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-7-9-8-13-6-5-10(9)14(11)4;1-9-8-13-11-7-10(12(2,3)4)5-6-14(9)11;2*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;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;2*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)9-6-8-7(13-9)4-5-10(12)14-8;1-10(2,3)6-4-7-8(12-5-6)14-9(11)13-7;1-7-8(10(2,3)4)5-6-9(11)12-7/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4,6-7H,5H2,1-3H3;3*4-7H,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;5*4-6H,1-3H3;4-6,13H,1-3H3,(H2,12,14);4-5H,1-3H3,(H3,11,12,13,14);5-6H,1-4H3,(H2,11,12)
InChIKeyAWAYCLGYEPGBRE-UHFFFAOYSA-N
XLogP71.15
TPSA468.74 Ų
H-Bond Donors7
H-Bond Acceptors35
Rotatable Bonds
Heavy Atoms281
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5004089.30
LogP ≤ 571.15
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1035

Analyze 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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 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;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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?
The IUPAC name of 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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 (CID 157248363) is 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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.
What is the SMILES notation for 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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?
The canonical SMILES for 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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 is CC(C)(C)c1cc(Cl)c2c(N)nccc2c1.CC(C)(C)c1cc(Cl)c2cnccc2c1.CC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2nc(N)ccc2[nH]1.CC(C)(C)c1ccc2c(N)nccc2c1.CC(C)(C)c1cnc2c(c1)C(Cl)=CC2.CC(C)(C)c1cnc2c(c1)C=CC2.CC(C)(C)c1cnc2nc(N)[nH]c2c1.CC(C)(C)c1nc2c(Cl)cccc2o1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2c(Cl)cccc2s1.CC(C)(C)c1nc2cccc(Cl)c2o1.CC(C)(C)c1nc2cccc(Cl)c2s1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1cnc2cc(C(C)(C)C)ccn12.Cc1nc(N)ccc1C(C)(C)C.Cn1c(C(C)(C)C)cc2cnccc21.
What is the InChIKey of 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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?
The InChIKey is AWAYCLGYEPGBRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN2.C13H14ClN.C13H16N2.C12H14ClN.2C12H13ClO.C12H13ClS.2C12H16N2.C12H15NO.C12H15NS.C12H15N.2C11H12ClNO.3C11H12ClNS.C11H15N3.C10H14N4.C10H16N2/c1-13(2,3)9-6-8-4-5-16-12(15)11(8)10(14)7-9;1-13(2,3)10-6-9-4-5-15-8-11(9)12(14)7-10;1-13(2,3)10-4-5-11-9(8-10)6-7-15-12(11)14;1-12(2,3)8-6-9-10(13)4-5-11(9)14-7-8;1-12(2,3)11-7-8-9(13)5-4-6-10(8)14-11;2*1-12(2,3)10-7-8-5-4-6-9(13)11(8)14-10;1-12(2,3)11-7-9-8-13-6-5-10(9)14(11)4;1-9-8-13-11-7-10(12(2,3)4)5-6-14(9)11;2*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-12(2,3)10-7-9-5-4-6-11(9)13-8-10;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;2*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)9-6-8-7(13-9)4-5-10(12)14-8;1-10(2,3)6-4-7-8(12-5-6)14-9(11)13-7;1-7-8(10(2,3)4)5-6-9(11)12-7/h4-7H,1-3H3,(H2,15,16);4-8H,1-3H3;4-8H,1-3H3,(H2,14,15);4,6-7H,5H2,1-3H3;3*4-7H,1-3H3;2*5-8H,1-4H3;2*5-7H,1-4H3;4-5,7-8H,6H2,1-3H3;5*4-6H,1-3H3;4-6,13H,1-3H3,(H2,12,14);4-5H,1-3H3,(H3,11,12,13,14);5-6H,1-4H3,(H2,11,12).
What are the key properties of 2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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 has a molecular weight of 4089.30 g/mol, XLogP of 71.15, 0 rotatable bonds, 7 hydrogen bond donors, and 35 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;bis(2-tert-butyl-4-chloro-1,3-benzothiazole);2-tert-butyl-7-chloro-1,3-benzothiazole;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1,3-benzoxazole;2-tert-butyl-7-chloro-1,3-benzoxazole;3-tert-butyl-5-chloro-7H-cyclopenta[b]pyridine;6-tert-butyl-8-chloroisoquinolin-1-amine;6-tert-butyl-8-chloroisoquinoline;3-tert-butyl-7H-cyclopenta[b]pyridine;6-tert-butyl-1H-imidazo[4,5-b]pyridin-2-amine;6-tert-butylisoquinolin-1-amine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;5-tert-butyl-6-methylpyridin-2-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 is sourced from PubChem (CID 157248363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).