WZL
7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one
Created: | 2023-10-17 |
Last modified: | 2024-03-27 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 29 |
Chiral Atom Count | 0 |
Bond Count | 31 |
Aromatic Bond Count | 12 |
Chemical Component Summary | |
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Name | 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one |
Systematic Name (OpenEye OEToolkits) | 7-bromanyl-3-(phenylmethyl)-1~{H}-benzimidazol-2-one |
Formula | C14 H11 Br N2 O |
Molecular Weight | 303.154 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | Brc1cccc2N(Cc3ccccc3)C(=O)Nc12 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2c3cccc(c3NC2=O)Br |
Canonical SMILES | CACTVS | 3.385 | Brc1cccc2N(Cc3ccccc3)C(=O)Nc12 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CN2c3cccc(c3NC2=O)Br |
InChI | InChI | 1.06 | InChI=1S/C14H11BrN2O/c15-11-7-4-8-12-13(11)16-14(18)17(12)9-10-5-2-1-3-6-10/h1-8H,9H2,(H,16,18) |
InChIKey | InChI | 1.06 | DXQIMXWTZLDPOP-UHFFFAOYSA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 69259305 |