4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride

C112H155BrCl4F2I4N24O13S3 — CID 157456864

About 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride

4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride (PubChem CID 157456864) has the molecular formula C112H155BrCl4F2I4N24O13S3 and a molecular weight of 2909.16 g/mol. Its IUPAC name is 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride.

Molecular Properties

• Compound Name: 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride
• PubChem CID: 157456864
• Molecular Formula: C112H155BrCl4F2I4N24O13S3
• Molecular Weight: 2909.16 g/mol
• Exact Mass: 2904.55
• IUPAC Name: 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride
• SMILES: CC(=O)Oc1ccccc1.CCCN(CCn1cnc(-c2cc3nccc(Cl)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCNCCn1cnc(I)c1.COCCN.Cl.ClCCBr.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.Nc1ccc(O)c(F)c1
• InChI: InChI=1S/C26H30FN5O3S.C20H25ClN4O2S.2C13H22IN3O2.C8H14IN3.C8H8O2.C7H4ClNS.C6H6FNO.C3H3IN2.C3H9NO.C3H7N.C2H4BrCl.ClH/c1-5-10-32(25(33)35-26(2,3)4)12-11-31-15-20(30-16-31)23-14-19-24(36-23)22(8-9-29-19)34-21-7-6-17(28)13-18(21)27;1-5-8-25(19(26)27-20(2,3)4)10-9-24-12-16(23-13-24)17-11-15-18(28-17)14(21)6-7-22-15;2*1-5-6-17(12(18)19-13(2,3)4)8-7-16-9-11(14)15-10-16;1-2-3-10-4-5-12-6-8(9)11-7-12;1-7(9)10-8-5-3-2-4-6-8;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8)1-2-6(5)9;4-3-1-5-2-6-3;1-5-3-2-4;4-3-1-2-3;3-1-2-4;/h6-9,13-16H,5,10-12,28H2,1-4H3;6-7,11-13H,5,8-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;6-7,10H,2-5H2,1H3;2-6H,1H3;1-4H;1-3,9H,8H2;1-2H,(H,5,6);2-4H2,1H3;3H,1-2,4H2;1-2H2;1H
• InChIKey: HRCPIHJIONEFTG-UHFFFAOYSA-N
• XLogP: 27.97
• TPSA: 455.71 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 35
• Rotatable Bonds: 33
• Heavy Atoms: 163
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2909.16
LogP ≤ 5	27.97
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	35

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'alkyl_halide', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride?

The IUPAC name of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride (CID 157456864) is 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride.

What is the SMILES notation for 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride?

The canonical SMILES for 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride is CC(=O)Oc1ccccc1.CCCN(CCn1cnc(-c2cc3nccc(Cl)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(-c2cc3nccc(Oc4ccc(N)cc4F)c3s2)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCN(CCn1cnc(I)c1)C(=O)OC(C)(C)C.CCCNCCn1cnc(I)c1.COCCN.Cl.ClCCBr.Clc1ccnc2ccsc12.Ic1cnc[nH]1.NC1CC1.Nc1ccc(O)c(F)c1.

What is the InChIKey of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride?

The InChIKey is HRCPIHJIONEFTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30FN5O3S.C20H25ClN4O2S.2C13H22IN3O2.C8H14IN3.C8H8O2.C7H4ClNS.C6H6FNO.C3H3IN2.C3H9NO.C3H7N.C2H4BrCl.ClH/c1-5-10-32(25(33)35-26(2,3)4)12-11-31-15-20(30-16-31)23-14-19-24(36-23)22(8-9-29-19)34-21-7-6-17(28)13-18(21)27;1-5-8-25(19(26)27-20(2,3)4)10-9-24-12-16(23-13-24)17-11-15-18(28-17)14(21)6-7-22-15;2*1-5-6-17(12(18)19-13(2,3)4)8-7-16-9-11(14)15-10-16;1-2-3-10-4-5-12-6-8(9)11-7-12;1-7(9)10-8-5-3-2-4-6-8;8-5-1-3-9-6-2-4-10-7(5)6;7-5-3-4(8)1-2-6(5)9;4-3-1-5-2-6-3;1-5-3-2-4;4-3-1-2-3;3-1-2-4;/h6-9,13-16H,5,10-12,28H2,1-4H3;6-7,11-13H,5,8-10H2,1-4H3;2*9-10H,5-8H2,1-4H3;6-7,10H,2-5H2,1H3;2-6H,1H3;1-4H;1-3,9H,8H2;1-2H,(H,5,6);2-4H2,1H3;3H,1-2,4H2;1-2H2;1H.

What are the key properties of 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride?

4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride has a molecular weight of 2909.16 g/mol, XLogP of 27.97, 33 rotatable bonds, 7 hydrogen bond donors, and 35 hydrogen bond acceptors.

Where does this data come from?

All data for 4-amino-2-fluorophenol;1-bromo-2-chloroethane;tert-butyl N-[2-[4-[7-(4-amino-2-fluorophenoxy)thieno[3,2-b]pyridin-2-yl]imidazol-1-yl]ethyl]-N-propylcarbamate;tert-butyl N-[2-[4-(7-chlorothieno[3,2-b]pyridin-2-yl)imidazol-1-yl]ethyl]-N-propylcarbamate;bis(tert-butyl N-[2-(4-iodoimidazol-1-yl)ethyl]-N-propylcarbamate);7-chlorothieno[3,2-b]pyridine;cyclopropanamine;5-iodo-1H-imidazole;N-[2-(4-iodoimidazol-1-yl)ethyl]propan-1-amine;2-methoxyethanamine;phenyl acetate;hydrochloride is sourced from PubChem (CID 157456864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).