WNG
N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine
Created: | 2020-10-30 |
Last modified: | 2020-11-11 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 31 |
Chiral Atom Count | 0 |
Bond Count | 33 |
Aromatic Bond Count | 16 |
Chemical Component Summary | |
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Name | N-[(Z)-2-phenylethenyl]-1H-benzimidazol-2-amine |
Systematic Name (OpenEye OEToolkits) | ~{N}-[(~{Z})-2-phenylethenyl]-1~{H}-benzimidazol-2-amine |
Formula | C15 H13 N3 |
Molecular Weight | 235.284 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c2(nc1c(cccc1)n2)N[C@H]=Cc3ccccc3 |
SMILES | CACTVS | 3.385 | N(C=Cc1ccccc1)c2[nH]c3ccccc3n2 |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)C=CNc2[nH]c3ccccc3n2 |
Canonical SMILES | CACTVS | 3.385 | N(\C=C/c1ccccc1)c2[nH]c3ccccc3n2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)/C=C\Nc2[nH]c3ccccc3n2 |
InChI | InChI | 1.03 | InChI=1S/C15H13N3/c1-2-6-12(7-3-1)10-11-16-15-17-13-8-4-5-9-14(13)18-15/h1-11H,(H2,16,17,18)/b11-10- |
InChIKey | InChI | 1.03 | NDQBJQDKEBGGFW-KHPPLWFESA-N |
Related Resource References
Resource Name | Reference |
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PubChem | 155804592 |