N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
C107H101ClF4N12O12 — CID 160695530
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
SMILESCOc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OC)c1.COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c(OC)c1.Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1C
InChIInChI=1S/2C27H26FN3O4.C27H26FN3O2.C26H23ClFN3O2/c1-33-21-13-19(14-22(15-21)34-2)30-27(32)24-12-11-23(35-24)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20;1-33-20-11-12-21(24(15-20)34-2)30-27(32)23-14-13-22(35-23)26-25(17-7-9-18(28)10-8-17)29-16-31(26)19-5-3-4-6-19;1-17-6-5-9-22(18(17)2)30-27(32)24-15-14-23(33-24)26-25(19-10-12-20(28)13-11-19)29-16-31(26)21-7-3-4-8-21;1-16-6-9-18(27)14-21(16)30-26(32)23-13-12-22(33-23)25-24(17-7-10-19(28)11-8-17)29-15-31(25)20-4-2-3-5-20/h7-16,20H,3-6H2,1-2H3,(H,30,32);7-16,19H,3-6H2,1-2H3,(H,30,32);5-6,9-16,21H,3-4,7-8H2,1-2H3,(H,30,32);6-15,20H,2-5H2,1H3,(H,30,32)
InChIKeyRPYHNPSVOTVZTM-UHFFFAOYSA-N
MW1858.50 g/mol
LogP26.88
Rot. Bonds24
About N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide
N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide (PubChem CID 160695530) has the molecular formula C107H101ClF4N12O12 and a molecular weight of 1858.50 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide.
Molecular Properties
| Compound Name | N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide |
|---|---|
| PubChem CID | 160695530 |
| Molecular Formula | C107H101ClF4N12O12 |
| Molecular Weight | 1858.50 g/mol |
| Exact Mass | 1856.73 |
| IUPAC Name | N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide |
| SMILES | COc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OC)c1.COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c(OC)c1.Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1C |
| InChI | InChI=1S/2C27H26FN3O4.C27H26FN3O2.C26H23ClFN3O2/c1-33-21-13-19(14-22(15-21)34-2)30-27(32)24-12-11-23(35-24)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20;1-33-20-11-12-21(24(15-20)34-2)30-27(32)23-14-13-22(35-23)26-25(17-7-9-18(28)10-8-17)29-16-31(26)19-5-3-4-6-19;1-17-6-5-9-22(18(17)2)30-27(32)24-15-14-23(33-24)26-25(19-10-12-20(28)13-11-19)29-16-31(26)21-7-3-4-8-21;1-16-6-9-18(27)14-21(16)30-26(32)23-13-12-22(33-23)25-24(17-7-10-19(28)11-8-17)29-15-31(25)20-4-2-3-5-20/h7-16,20H,3-6H2,1-2H3,(H,30,32);7-16,19H,3-6H2,1-2H3,(H,30,32);5-6,9-16,21H,3-4,7-8H2,1-2H3,(H,30,32);6-15,20H,2-5H2,1H3,(H,30,32) |
| InChIKey | RPYHNPSVOTVZTM-UHFFFAOYSA-N |
| XLogP | 26.88 |
| TPSA | 277.16 Ų |
| H-Bond Donors | 4 |
| H-Bond Acceptors | 20 |
| Rotatable Bonds | 24 |
| Heavy Atoms | 136 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1858.50 |
| LogP ≤ 5 | 26.88 |
| H-Bond Donors ≤ 5 | 4 |
| H-Bond Acceptors ≤ 10 | 20 |
Frequently Asked Questions
What is the IUPAC name of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide (CID 160695530) is N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide is COc1cc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)cc(OC)c1.COc1ccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c(OC)c1.Cc1ccc(Cl)cc1NC(=O)c1ccc(-c2c(-c3ccc(F)cc3)ncn2C2CCCC2)o1.Cc1cccc(NC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCC3)o2)c1C.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
The InChIKey is RPYHNPSVOTVZTM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C27H26FN3O4.C27H26FN3O2.C26H23ClFN3O2/c1-33-21-13-19(14-22(15-21)34-2)30-27(32)24-12-11-23(35-24)26-25(17-7-9-18(28)10-8-17)29-16-31(26)20-5-3-4-6-20;1-33-20-11-12-21(24(15-20)34-2)30-27(32)23-14-13-22(35-23)26-25(17-7-9-18(28)10-8-17)29-16-31(26)19-5-3-4-6-19;1-17-6-5-9-22(18(17)2)30-27(32)24-15-14-23(33-24)26-25(19-10-12-20(28)13-11-19)29-16-31(26)21-7-3-4-8-21;1-16-6-9-18(27)14-21(16)30-26(32)23-13-12-22(33-23)25-24(17-7-10-19(28)11-8-17)29-15-31(25)20-4-2-3-5-20/h7-16,20H,3-6H2,1-2H3,(H,30,32);7-16,19H,3-6H2,1-2H3,(H,30,32);5-6,9-16,21H,3-4,7-8H2,1-2H3,(H,30,32);6-15,20H,2-5H2,1H3,(H,30,32).
What are the key properties of N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide?
N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide has a molecular weight of 1858.50 g/mol, XLogP of 26.88, 24 rotatable bonds, 4 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,4-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(3,5-dimethoxyphenyl)furan-2-carboxamide;5-[3-cyclopentyl-5-(4-fluorophenyl)imidazol-4-yl]-N-(2,3-dimethylphenyl)furan-2-carboxamide is sourced from PubChem (CID 160695530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 160695530 — identifiers, structure, computed properties (public domain)
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