FY6
(1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol
Created: | 2020-07-08 |
Last modified: | 2020-12-02 |
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Chemical Details | |
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Formal Charge | 0 |
Atom Count | 35 |
Chiral Atom Count | 1 |
Bond Count | 36 |
Aromatic Bond Count | 11 |
Chemical Component Summary | |
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Name | (1S)-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol |
Systematic Name (OpenEye OEToolkits) | (1~{S})-1-[1-[3-(4-chlorophenyl)propyl]imidazol-2-yl]ethanol |
Formula | C14 H17 Cl N2 O |
Molecular Weight | 264.751 |
Type | NON-POLYMER |
Chemical Descriptors | |||
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Type | Program | Version | Descriptor |
SMILES | CACTVS | 3.385 | C[CH](O)c1nccn1CCCc2ccc(Cl)cc2 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(c1nccn1CCCc2ccc(cc2)Cl)O |
Canonical SMILES | CACTVS | 3.385 | C[C@H](O)c1nccn1CCCc2ccc(Cl)cc2 |
Canonical SMILES | OpenEye OEToolkits | 2.0.7 | C[C@@H](c1nccn1CCCc2ccc(cc2)Cl)O |
InChI | InChI | 1.03 | InChI=1S/C14H17ClN2O/c1-11(18)14-16-8-10-17(14)9-2-3-12-4-6-13(15)7-5-12/h4-8,10-11,18H,2-3,9H2,1H3/t11-/m0/s1 |
InChIKey | InChI | 1.03 | GGDYLOWWOJETKU-NSHDSACASA-N |