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Chemical ID: 5607361

Chemical ID:

5607361

Name [?]:

2-ethylsulfanyl-4,5-diphenyl-1H-imidazole

SMILES [?]:

CCSc1[nH]c(c(n1)c2ccccc2)c3ccccc3

InChi [?]:

InChI=1/C17H16N2S/c1-2-20-17-18-15(13-9-5-3-6-10-13)16(19-17)14-11-7-4-8-12-14/h3-12H,2H2,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,2,12,18,11,13,17,19,10,14,16,20,9,15,7,6,4,8,5,3/E:(3,4)(5,6,7,8)(9,10,11,12)(13,14)(15,16)(18,19)/rA:20nCCSCNCCNCCCCCCCCCCCC/rB:s1;s2;s3;s4;s5;d6;d4s7;s7;s9;d10;s11;d12;d9s13;s6;s15;d16;s17;d18;d15s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₆N₂S
All Atoms:	20
Heavy Atoms:	20
Chiral Atoms:	0

ZAP Information [?]

Total:	10.7724
Area:	479.01
Solvation:	-1.20283
Coulombic:	-22.1693

Bond Count [?]

All:	22
Single:	14
Double:	8
Rotors:	4
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	280.388
H-Bond Donors:	0
H-Bond Acceptors:	0
XLogP:	5.29
LogP (Chemaxon):	5.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value