N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide
C135H129Cl2F2N15O9 — CID 158009339
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPACN-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide
SMILESCCOc1cccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)c1.COc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1Cl.Cc1cc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)ccc1Cl.O=C(c1ccc(F)cc1F)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1
InChIInChI=1S/C28H29N3O2.C27H26ClN3O2.C27H26ClN3O.C27H25N3O3.C26H23F2N3O/c1-2-33-24-12-8-11-23(17-24)28(32)30(18-21-9-4-3-5-10-21)20-27-29-25-13-6-7-14-26(25)31(27)19-22-15-16-22;1-33-25-14-13-21(15-22(25)28)27(32)30(16-19-7-3-2-4-8-19)18-26-29-23-9-5-6-10-24(23)31(26)17-20-11-12-20;1-19-15-22(13-14-23(19)28)27(32)30(16-20-7-3-2-4-8-20)18-26-29-24-9-5-6-10-25(24)31(26)17-21-11-12-21;31-27(21-12-13-24-25(14-21)33-18-32-24)29(15-19-6-2-1-3-7-19)17-26-28-22-8-4-5-9-23(22)30(26)16-20-10-11-20;27-20-12-13-21(22(28)14-20)26(32)30(15-18-6-2-1-3-7-18)17-25-29-23-8-4-5-9-24(23)31(25)16-19-10-11-19/h3-14,17,22H,2,15-16,18-20H2,1H3;2-10,13-15,20H,11-12,16-18H2,1H3;2-10,13-15,21H,11-12,16-18H2,1H3;1-9,12-14,20H,10-11,15-18H2;1-9,12-14,19H,10-11,15-17H2
InChIKeyFEROGGYVKQPUCJ-UHFFFAOYSA-N
MW2214.51 g/mol
LogP28.47
Rot. Bonds38
About N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide
N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide (PubChem CID 158009339) has the molecular formula C135H129Cl2F2N15O9 and a molecular weight of 2214.51 g/mol. Its IUPAC name is N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide.
Molecular Properties
| Compound Name | N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide |
|---|---|
| PubChem CID | 158009339 |
| Molecular Formula | C135H129Cl2F2N15O9 |
| Molecular Weight | 2214.51 g/mol |
| Exact Mass | 2211.94 |
| IUPAC Name | N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide |
| SMILES | CCOc1cccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)c1.COc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1Cl.Cc1cc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)ccc1Cl.O=C(c1ccc(F)cc1F)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1 |
| InChI | InChI=1S/C28H29N3O2.C27H26ClN3O2.C27H26ClN3O.C27H25N3O3.C26H23F2N3O/c1-2-33-24-12-8-11-23(17-24)28(32)30(18-21-9-4-3-5-10-21)20-27-29-25-13-6-7-14-26(25)31(27)19-22-15-16-22;1-33-25-14-13-21(15-22(25)28)27(32)30(16-19-7-3-2-4-8-19)18-26-29-23-9-5-6-10-24(23)31(26)17-20-11-12-20;1-19-15-22(13-14-23(19)28)27(32)30(16-20-7-3-2-4-8-20)18-26-29-24-9-5-6-10-25(24)31(26)17-21-11-12-21;31-27(21-12-13-24-25(14-21)33-18-32-24)29(15-19-6-2-1-3-7-19)17-26-28-22-8-4-5-9-23(22)30(26)16-20-10-11-20;27-20-12-13-21(22(28)14-20)26(32)30(15-18-6-2-1-3-7-18)17-25-29-23-8-4-5-9-24(23)31(25)16-19-10-11-19/h3-14,17,22H,2,15-16,18-20H2,1H3;2-10,13-15,20H,11-12,16-18H2,1H3;2-10,13-15,21H,11-12,16-18H2,1H3;1-9,12-14,20H,10-11,15-18H2;1-9,12-14,19H,10-11,15-17H2 |
| InChIKey | FEROGGYVKQPUCJ-UHFFFAOYSA-N |
| XLogP | 28.47 |
| TPSA | 227.57 Ų |
| H-Bond Donors | |
| H-Bond Acceptors | 19 |
| Rotatable Bonds | 38 |
| Heavy Atoms | 163 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2214.51 |
| LogP ≤ 5 | 28.47 |
| H-Bond Donors ≤ 5 | 0 |
| H-Bond Acceptors ≤ 10 | 19 |
Frequently Asked Questions
What is the IUPAC name of N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide?
The IUPAC name of N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide (CID 158009339) is N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide.
What is the SMILES notation for N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide?
The canonical SMILES for N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide is CCOc1cccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)c1.COc1ccc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)cc1Cl.Cc1cc(C(=O)N(Cc2ccccc2)Cc2nc3ccccc3n2CC2CC2)ccc1Cl.O=C(c1ccc(F)cc1F)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.O=C(c1ccc2c(c1)OCO2)N(Cc1ccccc1)Cc1nc2ccccc2n1CC1CC1.
What is the InChIKey of N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide?
The InChIKey is FEROGGYVKQPUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O2.C27H26ClN3O2.C27H26ClN3O.C27H25N3O3.C26H23F2N3O/c1-2-33-24-12-8-11-23(17-24)28(32)30(18-21-9-4-3-5-10-21)20-27-29-25-13-6-7-14-26(25)31(27)19-22-15-16-22;1-33-25-14-13-21(15-22(25)28)27(32)30(16-19-7-3-2-4-8-19)18-26-29-23-9-5-6-10-24(23)31(26)17-20-11-12-20;1-19-15-22(13-14-23(19)28)27(32)30(16-20-7-3-2-4-8-20)18-26-29-24-9-5-6-10-25(24)31(26)17-21-11-12-21;31-27(21-12-13-24-25(14-21)33-18-32-24)29(15-19-6-2-1-3-7-19)17-26-28-22-8-4-5-9-23(22)30(26)16-20-10-11-20;27-20-12-13-21(22(28)14-20)26(32)30(15-18-6-2-1-3-7-18)17-25-29-23-8-4-5-9-24(23)31(25)16-19-10-11-19/h3-14,17,22H,2,15-16,18-20H2,1H3;2-10,13-15,20H,11-12,16-18H2,1H3;2-10,13-15,21H,11-12,16-18H2,1H3;1-9,12-14,20H,10-11,15-18H2;1-9,12-14,19H,10-11,15-17H2.
What are the key properties of N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide?
N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide has a molecular weight of 2214.51 g/mol, XLogP of 28.47, 38 rotatable bonds, 0 hydrogen bond donors, and 19 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-4-methoxybenzamide;N-benzyl-4-chloro-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-methylbenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-1,3-benzodioxole-5-carboxamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-2,4-difluorobenzamide;N-benzyl-N-[[1-(cyclopropylmethyl)benzimidazol-2-yl]methyl]-3-ethoxybenzamide is sourced from PubChem (CID 158009339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158009339 — identifiers, structure, computed properties (public domain)
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