1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone
C102H123N19O13S3 — CID 158517927
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone
SMILESCCNc1ccc2oc(C(C)=O)cc2c1.CCNc1ccc2sc(C(C)=O)cc2c1.CCNc1cn(C)c(C(C)=O)n1.CNc1cc(C(C)=O)n(C)c1.CNc1ccc(C(C)=O)cc1.CNc1ccc2[nH]c(C(C)=O)cc2c1.CNc1ccc2nc(C(C)=O)[nH]c2c1.CNc1ccc2nc(C(C)=O)oc2c1.CNc1cccc(C(C)=O)c1.CNc1csc(C(C)=O)c1.CNc1nc(C(C)=O)cs1
InChIInChI=1S/C12H13NO2.C12H13NOS.C11H12N2O.C10H11N3O.C10H10N2O2.2C9H11NO.C8H13N3O.C8H12N2O.C7H9NOS.C6H8N2OS/c2*1-3-13-10-4-5-11-9(6-10)7-12(15-11)8(2)14;1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11;1-6(14)10-12-8-4-3-7(11-2)5-9(8)13-10;1-6(13)10-12-8-4-3-7(11-2)5-9(8)14-10;1-7(11)8-3-5-9(10-2)6-4-8;1-7(11)8-4-3-5-9(6-8)10-2;1-4-9-7-5-11(3)8(10-7)6(2)12;1-6(11)8-4-7(9-2)5-10(8)3;1-5(9)7-3-6(8-2)4-10-7;1-4(9)5-3-10-6(7-2)8-5/h2*4-7,13H,3H2,1-2H3;3-6,12-13H,1-2H3;3-5,11H,1-2H3,(H,12,13);3-5,11H,1-2H3;2*3-6,10H,1-2H3;5,9H,4H2,1-3H3;4-5,9H,1-3H3;3-4,8H,1-2H3;3H,1-2H3,(H,7,8)
InChIKeyHLVXHLPDIVYSGC-UHFFFAOYSA-N
MW1919.43 g/mol
LogP22.46
Rot. Bonds25
About 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone
1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone (PubChem CID 158517927) has the molecular formula C102H123N19O13S3 and a molecular weight of 1919.43 g/mol. Its IUPAC name is 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone.
Molecular Properties
| Compound Name | 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone |
|---|---|
| PubChem CID | 158517927 |
| Molecular Formula | C102H123N19O13S3 |
| Molecular Weight | 1919.43 g/mol |
| Exact Mass | 1917.87 |
| IUPAC Name | 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone |
| SMILES | CCNc1ccc2oc(C(C)=O)cc2c1.CCNc1ccc2sc(C(C)=O)cc2c1.CCNc1cn(C)c(C(C)=O)n1.CNc1cc(C(C)=O)n(C)c1.CNc1ccc(C(C)=O)cc1.CNc1ccc2[nH]c(C(C)=O)cc2c1.CNc1ccc2nc(C(C)=O)[nH]c2c1.CNc1ccc2nc(C(C)=O)oc2c1.CNc1cccc(C(C)=O)c1.CNc1csc(C(C)=O)c1.CNc1nc(C(C)=O)cs1 |
| InChI | InChI=1S/C12H13NO2.C12H13NOS.C11H12N2O.C10H11N3O.C10H10N2O2.2C9H11NO.C8H13N3O.C8H12N2O.C7H9NOS.C6H8N2OS/c2*1-3-13-10-4-5-11-9(6-10)7-12(15-11)8(2)14;1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11;1-6(14)10-12-8-4-3-7(11-2)5-9(8)13-10;1-6(13)10-12-8-4-3-7(11-2)5-9(8)14-10;1-7(11)8-3-5-9(10-2)6-4-8;1-7(11)8-4-3-5-9(6-8)10-2;1-4-9-7-5-11(3)8(10-7)6(2)12;1-6(11)8-4-7(9-2)5-10(8)3;1-5(9)7-3-6(8-2)4-10-7;1-4(9)5-3-10-6(7-2)8-5/h2*4-7,13H,3H2,1-2H3;3-6,12-13H,1-2H3;3-5,11H,1-2H3,(H,12,13);3-5,11H,1-2H3;2*3-6,10H,1-2H3;5,9H,4H2,1-3H3;4-5,9H,1-3H3;3-4,8H,1-2H3;3H,1-2H3,(H,7,8) |
| InChIKey | HLVXHLPDIVYSGC-UHFFFAOYSA-N |
| XLogP | 22.46 |
| TPSA | 439.38 Ų |
| H-Bond Donors | 13 |
| H-Bond Acceptors | 33 |
| Rotatable Bonds | 25 |
| Heavy Atoms | 137 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1919.43 |
| LogP ≤ 5 | 22.46 |
| H-Bond Donors ≤ 5 | 13 |
| H-Bond Acceptors ≤ 10 | 33 |
Frequently Asked Questions
What is the IUPAC name of 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
The IUPAC name of 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone (CID 158517927) is 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone.
What is the SMILES notation for 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
The canonical SMILES for 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone is CCNc1ccc2oc(C(C)=O)cc2c1.CCNc1ccc2sc(C(C)=O)cc2c1.CCNc1cn(C)c(C(C)=O)n1.CNc1cc(C(C)=O)n(C)c1.CNc1ccc(C(C)=O)cc1.CNc1ccc2[nH]c(C(C)=O)cc2c1.CNc1ccc2nc(C(C)=O)[nH]c2c1.CNc1ccc2nc(C(C)=O)oc2c1.CNc1cccc(C(C)=O)c1.CNc1csc(C(C)=O)c1.CNc1nc(C(C)=O)cs1.
What is the InChIKey of 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
The InChIKey is HLVXHLPDIVYSGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2.C12H13NOS.C11H12N2O.C10H11N3O.C10H10N2O2.2C9H11NO.C8H13N3O.C8H12N2O.C7H9NOS.C6H8N2OS/c2*1-3-13-10-4-5-11-9(6-10)7-12(15-11)8(2)14;1-7(14)11-6-8-5-9(12-2)3-4-10(8)13-11;1-6(14)10-12-8-4-3-7(11-2)5-9(8)13-10;1-6(13)10-12-8-4-3-7(11-2)5-9(8)14-10;1-7(11)8-3-5-9(10-2)6-4-8;1-7(11)8-4-3-5-9(6-8)10-2;1-4-9-7-5-11(3)8(10-7)6(2)12;1-6(11)8-4-7(9-2)5-10(8)3;1-5(9)7-3-6(8-2)4-10-7;1-4(9)5-3-10-6(7-2)8-5/h2*4-7,13H,3H2,1-2H3;3-6,12-13H,1-2H3;3-5,11H,1-2H3,(H,12,13);3-5,11H,1-2H3;2*3-6,10H,1-2H3;5,9H,4H2,1-3H3;4-5,9H,1-3H3;3-4,8H,1-2H3;3H,1-2H3,(H,7,8).
What are the key properties of 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone?
1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone has a molecular weight of 1919.43 g/mol, XLogP of 22.46, 25 rotatable bonds, 13 hydrogen bond donors, and 33 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(ethylamino)-1-benzofuran-2-yl]ethanone;1-[5-(ethylamino)-1-benzothiophen-2-yl]ethanone;1-[4-(ethylamino)-1-methylimidazol-2-yl]ethanone;1-[6-(methylamino)-1H-benzimidazol-2-yl]ethanone;1-[6-(methylamino)-1,3-benzoxazol-2-yl]ethanone;1-[5-(methylamino)-1H-indol-2-yl]ethanone;1-[3-(methylamino)phenyl]ethanone;1-[4-(methylamino)phenyl]ethanone;1-[2-(methylamino)-1,3-thiazol-4-yl]ethanone;1-[4-(methylamino)thiophen-2-yl]ethanone;1-[1-methyl-4-(methylamino)pyrrol-2-yl]ethanone is sourced from PubChem (CID 158517927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
Browse: Molecules A–Z · all molecules A–Z · drugs A–Z · protein targets A–Z.
Sources
- PubChem CID 158517927 — identifiers, structure, computed properties (public domain)
How this page is built: methodology · editorial policy & corrections.
For research and educational use only — not medical advice. This page is compiled automatically from public databases. It is not written or reviewed by a clinician. Do not start, stop or change any treatment based on it; consult a qualified healthcare professional. Spotted an error? See our corrections policy or email hello@molforge.ai.