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LEY

Summary
Name:N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
Formula:C14 H16 F N3 O
Formal charge:0
Formula weight:261.295 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[(4-fluorophenyl)methyl]-2-(propan-2-yl)-1H-imidazole-5-carboxamide
OpenEye OEToolkits2.0.6~{N}-[(4-fluorophenyl)methyl]-2-propan-2-yl-1~{H}-imidazole-5-carboxamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01n2c(C(NCc1ccc(cc1)F)=O)cnc2C(C)C
InChIInChI1.03InChI=1S/C14H16FN3O/c1-9(2)13-16-8-12(18-13)14(19)17-7-10-3-5-11(15)6-4-10/h3-6,8-9H,7H2,1-2H3,(H,16,18)(H,17,19)
InChIKeyInChI1.03TURNDZZBBPNUCW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2
SMILESCACTVS3.385CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(F)cc2
SMILES_CANONICALOpenEye OEToolkits2.0.6CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F
SMILESOpenEye OEToolkits2.0.6CC(C)c1[nH]c(cn1)C(=O)NCc2ccc(cc2)F

219140

PDB entries from 2024-05-01

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