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Chemical ID: 5327438

CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4

Chemical ID:

5327438

Name [?]:

4-[5-(4-fluorophenyl)-2-(4-methylsulfinylphenyl)-3H-imidazol-4-yl]pyridine

SMILES [?]:

CS(=O)c1ccc(cc1)c2[nH]c(c(n2)c3ccc(cc3)F)c4ccncc4

InChi [?]:

InChI=1/C21H16FN3OS/c1-27(26)18-8-4-16(5-9-18)21-24-19(14-2-6-17(22)7-3-14)20(25-21)15-10-12-23-13-11-15/h2-13H,1H3,(H,24,25)

InChi Info:

AuxInfo=1/1/N:1,16,20,6,8,17,19,5,9,23,27,24,26,15,22,7,18,4,13,12,10,21,25,14,11,3,2/E:(2,3)(4,5)(6,7)(8,9)(10,11)(12,13)/rA:27cCSOCCCCCCCNCCNCCCCCCFCCCNCC/rB:s1;d2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;d10s13;s13;s15;d16;s17;d18;d15s19;s18;s12;s22;d23;s24;d25;d22s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₁H₁₆FN₃OS
All Atoms:	27
Heavy Atoms:	27
Chiral Atoms:	0

ZAP Information [?]

Total:	10.1983
Area:	579.642
Solvation:	-4.29277
Coulombic:	-30.1772

Bond Count [?]

All:	30
Single:	18
Double:	12
Rotors:	4
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	377.436
H-Bond Donors:	0
H-Bond Acceptors:	1
XLogP:	3.75
LogP (Chemaxon):	2.99

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Chemical Mix	Source	External ID	Descriptor	Value

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical Mix	Source	External ID	Descriptor	Value