D6V
Summary
| Name: | 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole |
| Formula: | C11 H13 N3 |
| Formal charge: | 0 |
| Formula weight: | 187.241 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | 2-[(3S)-pyrrolidin-3-yl]-1H-benzimidazole |
| OpenEye OEToolkits | 2.0.6 | 2-[(3~{S})-pyrrolidin-3-yl]-1~{H}-benzimidazole |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c32nc(C1CNCC1)nc2cccc3 |
| InChI | InChI | 1.03 | InChI=1S/C11H13N3/c1-2-4-10-9(3-1)13-11(14-10)8-5-6-12-7-8/h1-4,8,12H,5-7H2,(H,13,14)/t8-/m0/s1 |
| InChIKey | InChI | 1.03 | OFQGVINTJUCLFL-QMMMGPOBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C1C[C@@H](CN1)c2[nH]c3ccccc3n2 |
| SMILES | CACTVS | 3.385 | C1C[CH](CN1)c2[nH]c3ccccc3n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)[nH]c(n2)[C@H]3CCNC3 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)[nH]c(n2)C3CCNC3 |
