(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
C110H138N22O10 — CID 157099773
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
SMILESCc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1
InChIInChI=1S/C19H24N4O2.C19H25N3O.C18H20N4O2.2C18H22N4O2.C18H25N3O/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-13-7-8-15-16(11-13)22(14-5-3-6-14)18(20-15)21-17(23)12-19(2)9-4-10-19;1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4;1-11-6-7-13-14(8-11)22(16-9-12(2)21-24-16)17(19-13)20-15(23)10-18(3,4)5;1-10(2)13(5)17(23)20-18-19-14-7-6-11(3)8-15(14)22(18)16-9-12(4)21-24-16;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14/h7-10,13H,1-6H3,(H,20,21,24);7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,20,21,23);5-8,12H,9H2,1-4H3,(H,19,20,23);6-9H,10H2,1-5H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22)/t13-;;12-;;2*13-/m1.1.01/s1
InChIKeyAFQAARYOFYOOQJ-GUWRVRGJSA-N
MW1928.46 g/mol
LogP24.62
Rot. Bonds21
About (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide
(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (PubChem CID 157099773) has the molecular formula C110H138N22O10 and a molecular weight of 1928.46 g/mol. Its IUPAC name is (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide.
Molecular Properties
| Compound Name | (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide |
|---|---|
| PubChem CID | 157099773 |
| Molecular Formula | C110H138N22O10 |
| Molecular Weight | 1928.46 g/mol |
| Exact Mass | 1927.10 |
| IUPAC Name | (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide |
| SMILES | Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1 |
| InChI | InChI=1S/C19H24N4O2.C19H25N3O.C18H20N4O2.2C18H22N4O2.C18H25N3O/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-13-7-8-15-16(11-13)22(14-5-3-6-14)18(20-15)21-17(23)12-19(2)9-4-10-19;1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4;1-11-6-7-13-14(8-11)22(16-9-12(2)21-24-16)17(19-13)20-15(23)10-18(3,4)5;1-10(2)13(5)17(23)20-18-19-14-7-6-11(3)8-15(14)22(18)16-9-12(4)21-24-16;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14/h7-10,13H,1-6H3,(H,20,21,24);7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,20,21,23);5-8,12H,9H2,1-4H3,(H,19,20,23);6-9H,10H2,1-5H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22)/t13-;;12-;;2*13-/m1.1.01/s1 |
| InChIKey | AFQAARYOFYOOQJ-GUWRVRGJSA-N |
| XLogP | 24.62 |
| TPSA | 385.64 Ų |
| H-Bond Donors | 6 |
| H-Bond Acceptors | 26 |
| Rotatable Bonds | 21 |
| Heavy Atoms | 142 |
| Complexity | — |
Lipinski Rule of Five
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1928.46 |
| LogP ≤ 5 | 24.62 |
| H-Bond Donors ≤ 5 | 6 |
| H-Bond Acceptors ≤ 10 | 26 |
Frequently Asked Questions
What is the IUPAC name of (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The IUPAC name of (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide (CID 157099773) is (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide.
What is the SMILES notation for (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The canonical SMILES for (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide is Cc1ccc2nc(NC(=O)CC(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)CC3(C)CCC3)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@@H](C)C(C)C)n(-c3cc(C)no3)c2c1.Cc1ccc2nc(NC(=O)[C@H](C)C(C)C)n(C3CCC3)c2c1.Cc1ccc2nc(NC(=O)[C@H]3CC3(C)C)n(-c3cc(C)no3)c2c1.
What is the InChIKey of (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
The InChIKey is AFQAARYOFYOOQJ-GUWRVRGJSA-N. The full InChI is InChI=1S/C19H24N4O2.C19H25N3O.C18H20N4O2.2C18H22N4O2.C18H25N3O/c1-11-7-8-14-15(9-11)23(16-10-12(2)22-25-16)18(20-14)21-17(24)13(3)19(4,5)6;1-13-7-8-15-16(11-13)22(14-5-3-6-14)18(20-15)21-17(23)12-19(2)9-4-10-19;1-10-5-6-13-14(7-10)22(15-8-11(2)21-24-15)17(19-13)20-16(23)12-9-18(12,3)4;1-11-6-7-13-14(8-11)22(16-9-12(2)21-24-16)17(19-13)20-15(23)10-18(3,4)5;1-10(2)13(5)17(23)20-18-19-14-7-6-11(3)8-15(14)22(18)16-9-12(4)21-24-16;1-11(2)13(4)17(22)20-18-19-15-9-8-12(3)10-16(15)21(18)14-6-5-7-14/h7-10,13H,1-6H3,(H,20,21,24);7-8,11,14H,3-6,9-10,12H2,1-2H3,(H,20,21,23);5-8,12H,9H2,1-4H3,(H,19,20,23);6-9H,10H2,1-5H3,(H,19,20,23);6-10,13H,1-5H3,(H,19,20,23);8-11,13-14H,5-7H2,1-4H3,(H,19,20,22)/t13-;;12-;;2*13-/m1.1.01/s1.
What are the key properties of (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide?
(2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide has a molecular weight of 1928.46 g/mol, XLogP of 24.62, 21 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2,3-dimethylbutanamide;N-(1-cyclobutyl-6-methylbenzimidazol-2-yl)-2-(1-methylcyclobutyl)acetamide;(2S)-2,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;3,3-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide;(1S)-2,2-dimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]cyclopropane-1-carboxamide;(2S)-2,3,3-trimethyl-N-[6-methyl-1-(3-methyl-1,2-oxazol-5-yl)benzimidazol-2-yl]butanamide is sourced from PubChem (CID 157099773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 157099773 — identifiers, structure, computed properties (public domain)
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