Loading
PDBj
English日本語简体中文繁體中文한국어
✖
MenuPDBj@FacebookPDBj@TwitterPDBj@YouTubewwPDB FoundationwwPDB
RCSB PDBPDBeBMRBAdv. SearchSearch help
SummaryGeometryRelated PDB entries

VMC

Summary
Name:2-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
Formula:C23 H27 N3 O2
Formal charge:0
Formula weight:377.479 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-methoxy-4-(1-{2-[(2S)-1-methylpyrrolidin-2-yl]ethyl}-4-phenyl-1H-imidazol-5-yl)phenol
OpenEye OEToolkits2.0.72-methoxy-4-[3-[2-[(2~{S})-1-methylpyrrolidin-2-yl]ethyl]-5-phenyl-imidazol-4-yl]phenol

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Oc1c(OC)cc(cc1)c2n(cnc2c3ccccc3)CCC4N(CCC4)C
InChIInChI1.03InChI=1S/C23H27N3O2/c1-25-13-6-9-19(25)12-14-26-16-24-22(17-7-4-3-5-8-17)23(26)18-10-11-20(27)21(15-18)28-2/h3-5,7-8,10-11,15-16,19,27H,6,9,12-14H2,1-2H3/t19-/m0/s1
InChIKeyInChI1.03YGPHAIXUDLLWHC-IBGZPJMESA-N
SMILES_CANONICALCACTVS3.385COc1cc(ccc1O)c2n(CC[C@@H]3CCCN3C)cnc2c4ccccc4
SMILESCACTVS3.385COc1cc(ccc1O)c2n(CC[CH]3CCCN3C)cnc2c4ccccc4
SMILES_CANONICALOpenEye OEToolkits2.0.7CN1CCC[C@H]1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4
SMILESOpenEye OEToolkits2.0.7CN1CCCC1CCn2cnc(c2c3ccc(c(c3)OC)O)c4ccccc4

223532

PDB entries from 2024-08-07

PDB statisticsPDBj update infoContact PDBjnumon