1-(2-PHENYLETHYL)-1H-BENZIMIDAZOLE-2-THIOL

1. Names and Identifiers

1.2 Synonyms: 1-(2-Phenylethyl)-1,3-dihydro-2H-benzimidazole-2-thione; 1-Phenethyl-1H-benzo[d]imidazole-2-thiol; 1-PHENETHYL-1H-BENZOIMIDAZOLE-2-THIOL; 2H-Benzimidazole-2-thione, 1,3-dihydro-1-(2-phenylethyl)-; A2150/0090315; AKOS BBS-00006559; MFCD01926164; OTAVA-BB BB7119620362; TIMTEC-BB SBB010033; ZINC00082583;

1.6 Inchi: InChI=1S/C15H14N2S/c18-15-16-13-8-4-5-9-14(13)17(15)11-10-12-6-2-1-3-7-12/h1-9H,10-11H2,(H,16,18)

2. Computed Properties

Molecular Weight：254.35g/mol
Molecular Formula：C₁₅H₁₄N₂S
Compound Is Canonicalized：True
Exact Mass：3.3
XLogP3-AA：254.08776963
Monoisotopic Mass：254.08776963
Complexity：299
Rotatable Bond Count：3
Hydrogen Bond Donor Count：1
Hydrogen Bond Acceptor Count：1
Topological Polar Surface Area：47.4
Heavy Atom Count：：18
Defined Atom Stereocenter Count：0
Undefined Atom Stereocenter Count：0
Defined Bond Stereocenter Count：0
Undefined Bond Stereocenter Count：0
Isotope Atom Count：0
Covalently-Bonded Unit Count：1
CACTVS Substructure Key Fingerprint：AAADccBzAABAAAAAAAAAAAAAAAAAAWAAAAAwYAAAAAAAAFgBQAAAHAQQAAAADAjBGAQxwIPAAACEAiRCQACCAAAhAgkIiAAIdIiIYCLAkZGUIAhokALIyCcQgIAOAAAAAAAAACAAAAAAAAAAQAAAAAAAAA==