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Chemical ID: 4643553

CCOc1cc(ccc1O)c2[nH]c(c(n2)c3ccc(c(c3)C)C)c4ccccc4

Chemical ID:

4643553

Name [?]:

4-[4-(3,4-dimethylphenyl)-5-phenyl-1H-imidazol-2-yl]-2-ethoxy-phenol

SMILES [?]:

CCOc1cc(ccc1O)c2[nH]c(c(n2)c3ccc(c(c3)C)C)c4ccccc4

InChi [?]:

InChI=1/C25H24N2O2/c1-4-29-22-15-20(12-13-21(22)28)25-26-23(18-8-6-5-7-9-18)24(27-25)19-11-10-16(2)17(3)14-19/h5-15,28H,4H2,1-3H3,(H,26,27)

InChi Info:

AuxInfo=1/1/N:1,23,22,2,27,26,28,25,29,18,17,7,8,21,5,19,20,24,16,6,9,4,13,14,11,12,15,10,3/E:(6,7)(8,9)/rA:29nCCOCCCCCCOCNCCNCCCCCCCCCCCCCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s6;s11;s12;d13;d11s14;s14;s16;d17;s18;d19;d16s20;s20;s19;s13;s24;d25;s26;d27;d24s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₅H₂₄N₂O₂
All Atoms:	29
Heavy Atoms:	29
Chiral Atoms:	0

ZAP Information [?]

Total:	11.7323
Area:	624.909
Solvation:	-3.89047
Coulombic:	-43.9426

Bond Count [?]

All:	32
Single:	21
Double:	11
Rotors:	5
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	384.47
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	6.94
LogP (Chemaxon):	6.32

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