2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine

C169H203Cl3N8O8S5 — CID 158621974

IUPAC2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1cccc2cc(C(C)(C)C)oc12.Cc1cccc2cc(C(C)(C)C)sc12.Cc1cccc2oc(C(C)(C)C)cc12.Cc1cnc2cc(C(C)(C)C)ccn12
InChIInChI=1S/2C13H16O.C13H16S.2C12H13ClO.C12H13ClS.C12H16N2.2C12H15NO.2C12H15NS.C12H14O.C11H13NO.C11H13NS/c1-9-6-5-7-11-10(9)8-12(14-11)13(2,3)4;2*1-9-6-5-7-10-8-11(13(2,3)4)14-12(9)10;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;1-9-8-13-11-7-10(12(2,3)4)5-6-14(9)11;4*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;2*1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h3*5-8H,1-4H3;3*4-7H,1-3H3;5-8H,1-4H3;4*5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyHYCPMSPTQXHHPV-UHFFFAOYSA-N
MW2741.22 g/mol
LogP54.27
Rot. Bonds

About 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine

2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine (PubChem CID 158621974) has the molecular formula C169H203Cl3N8O8S5 and a molecular weight of 2741.22 g/mol. Its IUPAC name is 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine.

Molecular Properties

Compound Name2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine
PubChem CID158621974
Molecular FormulaC169H203Cl3N8O8S5
Molecular Weight2741.22 g/mol
Exact Mass2737.34
IUPAC Name2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine
SMILESCC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1cccc2cc(C(C)(C)C)oc12.Cc1cccc2cc(C(C)(C)C)sc12.Cc1cccc2oc(C(C)(C)C)cc12.Cc1cnc2cc(C(C)(C)C)ccn12
InChIInChI=1S/2C13H16O.C13H16S.2C12H13ClO.C12H13ClS.C12H16N2.2C12H15NO.2C12H15NS.C12H14O.C11H13NO.C11H13NS/c1-9-6-5-7-11-10(9)8-12(14-11)13(2,3)4;2*1-9-6-5-7-10-8-11(13(2,3)4)14-12(9)10;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;1-9-8-13-11-7-10(12(2,3)4)5-6-14(9)11;4*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;2*1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h3*5-8H,1-4H3;3*4-7H,1-3H3;5-8H,1-4H3;4*5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3
InChIKeyHYCPMSPTQXHHPV-UHFFFAOYSA-N
XLogP54.27
TPSA199.76 Ų
H-Bond Donors
H-Bond Acceptors21
Rotatable Bonds
Heavy Atoms193
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002741.22
LogP ≤ 554.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1021

Analyze 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine with MolForge

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

Launch Full Analysis

Related Compounds

2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;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;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;5-tert-butylpyridin-2-amine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine;2-tert-butyl-1H-pyrrolo[3,2-c]pyridin-4-amine
CID 158084383
2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);bis(7-tert-butyl-3-methylimidazo[1,2-a]pyridine);bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butyl-1H-pyrrolo[3,2-c]pyridine;2-tert-butylthieno[3,2-c]pyridine
CID 158169620
2-Tert-butyl-1-benzofuran;2-tert-butyl-1-benzothiophene;2-tert-butyl-1,3-benzoxazole;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;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-4-methyl-1-benzothiophene;2-tert-butyl-7-methyl-1-benzothiophene;2-tert-butyl-4-methyl-1,3-benzoxazole;2-tert-butyl-7-methyl-1,3-benzoxazole;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);bis(7-tert-butyl-3-methylimidazo[1,2-a]pyridine);bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine
CID 160167775
2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butyl-4-chloro-1-methylpyrrolo[3,2-c]pyridine;2-tert-butyl-4-chloro-1H-pyrrolo[3,2-c]pyridine;2-tert-butyl-3-methylfuro[3,2-c]pyridine;7-tert-butyl-3-methylimidazo[1,2-a]pyridine;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]pyridine;2-tert-butyl-3-methylthieno[3,2-c]pyridine;2-tert-butyl-1H-pyrrolo[3,2-b]pyridin-5-amine
CID 161686620

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine?
The IUPAC name of 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine (CID 158621974) is 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine.
What is the SMILES notation for 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine?
The canonical SMILES for 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine is CC(C)(C)c1cc2c(Cl)cccc2o1.CC(C)(C)c1cc2cccc(Cl)c2o1.CC(C)(C)c1cc2cccc(Cl)c2s1.CC(C)(C)c1cc2ccccc2o1.CC(C)(C)c1cc2cnccc2o1.CC(C)(C)c1cc2cnccc2s1.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)oc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1c(C(C)(C)C)sc2ccncc12.Cc1cccc2cc(C(C)(C)C)oc12.Cc1cccc2cc(C(C)(C)C)sc12.Cc1cccc2oc(C(C)(C)C)cc12.Cc1cnc2cc(C(C)(C)C)ccn12.
What is the InChIKey of 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine?
The InChIKey is HYCPMSPTQXHHPV-UHFFFAOYSA-N. The full InChI is InChI=1S/2C13H16O.C13H16S.2C12H13ClO.C12H13ClS.C12H16N2.2C12H15NO.2C12H15NS.C12H14O.C11H13NO.C11H13NS/c1-9-6-5-7-11-10(9)8-12(14-11)13(2,3)4;2*1-9-6-5-7-10-8-11(13(2,3)4)14-12(9)10;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;1-9-8-13-11-7-10(12(2,3)4)5-6-14(9)11;4*1-8-9-7-13-6-5-10(9)14-11(8)12(2,3)4;1-12(2,3)11-8-9-6-4-5-7-10(9)13-11;2*1-11(2,3)10-6-8-7-12-5-4-9(8)13-10/h3*5-8H,1-4H3;3*4-7H,1-3H3;5-8H,1-4H3;4*5-7H,1-4H3;4-8H,1-3H3;2*4-7H,1-3H3.
What are the key properties of 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine?
2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine has a molecular weight of 2741.22 g/mol, XLogP of 54.27, 0 rotatable bonds, 0 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-1-benzofuran;2-tert-butyl-4-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzofuran;2-tert-butyl-7-chloro-1-benzothiophene;2-tert-butylfuro[3,2-c]pyridine;2-tert-butyl-4-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzofuran;2-tert-butyl-7-methyl-1-benzothiophene;bis(2-tert-butyl-3-methylfuro[3,2-c]pyridine);7-tert-butyl-3-methylimidazo[1,2-a]pyridine;bis(2-tert-butyl-3-methylthieno[3,2-c]pyridine);2-tert-butylthieno[3,2-c]pyridine is sourced from PubChem (CID 158621974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).