MVZ
5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine
| Created: | 2019-10-25 |
| Last modified: | 2020-03-04 |
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Chemical Details | |
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| Formal Charge | 0 |
| Atom Count | 28 |
| Chiral Atom Count | 0 |
| Bond Count | 30 |
| Aromatic Bond Count | 15 |
Chemical Component Summary | |
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| Name | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine |
| Systematic Name (OpenEye OEToolkits) | 5-bromanyl-3-chloranyl-~{N}-(1~{H}-imidazol-2-yl)-7-methyl-1~{H}-indol-4-amine |
| Formula | C12 H10 Br Cl N4 |
| Molecular Weight | 325.592 |
| Type | NON-POLYMER |
Chemical Descriptors | |||
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| Type | Program | Version | Descriptor |
| SMILES | CACTVS | 3.385 | Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br |
| Canonical SMILES | CACTVS | 3.385 | Cc1cc(Br)c(Nc2[nH]ccn2)c3c(Cl)c[nH]c13 |
| Canonical SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(c(c2c1[nH]cc2Cl)Nc3[nH]ccn3)Br |
| InChI | InChI | 1.03 | InChI=1S/C12H10BrClN4/c1-6-4-7(13)11(18-12-15-2-3-16-12)9-8(14)5-17-10(6)9/h2-5,17H,1H3,(H2,15,16,18) |
| InChIKey | InChI | 1.03 | NKEWJSANHAKFDR-UHFFFAOYSA-N |
Related Resource References
| Resource Name | Reference |
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| PubChem | 146018702 |














