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Chemical ID: 4705880

Chemical ID:

4705880

Name [?]:

2-(4-fluorophenyl)-4-(2-methoxyphenyl)-5-methyl-2H-imidazole

SMILES [?]:

CC1=NC(N=C1c2ccccc2OC)c3ccc(cc3)F

InChi [?]:

InChI=1/C17H15FN2O/c1-11-16(14-5-3-4-6-15(14)21-2)20-17(19-11)12-7-9-13(18)10-8-12/h3-10,17H,1-2H3

InChi Info:

AuxInfo=1/0/N:1,14,9,10,8,11,16,20,17,19,2,15,18,7,12,6,4,21,3,5,13/E:(7,8)(9,10)/rA:21cCCNCNCCCCCCCOCCCCCCCF/rB:s1;d2;s3;s4;s2d5;s6;s7;d8;s9;d10;d7s11;s12;s13;s4;s15;d16;s17;d18;d15s19;s18;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₅FN₂O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	1

ZAP Information [?]

Total:	8.05271
Area:	464.918
Solvation:	-3.57025
Coulombic:	-25.1255

Bond Count [?]

All:	23
Single:	15
Double:	8
Rotors:	3
Chiral:	0
Rigid Segments:	4

Chemical Properties

Molecular Weight:	282.312
H-Bond Donors:	0
H-Bond Acceptors:	3
XLogP:	3.64
LogP (Chemaxon):	4.83

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

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Chemical Mix	Source	External ID	Descriptor	Value