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Chemical ID: 4870405

Chemical ID:

4870405

Name [?]:

3-(4,5-dihydro-1H-imidazol-2-ylmethyl-(p-tolyl)amino)phenol

SMILES [?]:

Cc1ccc(cc1)N(CC2=NCCN2)c3cccc(c3)O

InChi [?]:

InChI=1/C17H19N3O/c1-13-5-7-14(8-6-13)20(12-17-18-9-10-19-17)15-3-2-4-16(21)11-15/h2-8,11,21H,9-10,12H2,1H3,(H,18,19)

InChi Info:

AuxInfo=1/1/N:1,17,16,18,3,7,4,6,12,13,20,9,2,5,15,19,10,11,14,8,21/E:(5,6)(7,8)(9,10)(18,19)/rA:21nCCCCCCCNCCNCCNCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;d10;s11;s12;s10s13;s8;s15;d16;s17;d18;d15s19;s19;/rC:;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₁₇H₁₉N₃O
All Atoms:	21
Heavy Atoms:	21
Chiral Atoms:	0

ZAP Information [?]

Total:	8.71824
Area:	480.18
Solvation:	-3.28627
Coulombic:	-39.4889

Bond Count [?]

All:	23
Single:	16
Double:	7
Rotors:	4
Chiral:	0
Rigid Segments:	3

Chemical Properties

Molecular Weight:	281.352
H-Bond Donors:	2
H-Bond Acceptors:	4
XLogP:	3.26
LogP (Chemaxon):	2.57

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