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Chemical ID: 6863936

Chemical ID:

6863936

Name [?]:

1-[1-[4-(3-methylphenoxy)butyl]-3H-benzoimidazol-2-yl]ethanol

SMILES [?]:

Cc1cccc(c1)OCCCCn2c3ccccc3[nH+]c2C(C)O

InChi [?]:

InChI=1/C20H24N2O2/c1-15-8-7-9-17(14-15)24-13-6-5-12-22-19-11-4-3-10-18(19)21-20(22)16(2)23/h3-4,7-11,14,16,23H,5-6,12-13H2,1-2H3/p+1

InChi Info:

AuxInfo=1/1/N:1,23,17,16,11,10,4,3,5,18,15,12,9,7,2,22,6,19,14,21,20,13,24,8/rA:24cCCCCCCCOCCCCNCCCCCCN+CCCO/rB:s1;s2;d3;s4;d5;d2s6;s6;s8;s9;s10;s11;s12;s13;s14;d15;s16;d17;d14s18;s19;s13d20;s21;s22;s22;/rC:;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count

Formula:	C₂₀H₂₅N₂O₂₊
All Atoms:	49
Heavy Atoms:	24
Chiral Atoms:	1

ZAP Information [?]

Total:	-19.0603
Area:	568.401
Solvation:	-33.2703
Coulombic:	-28.8802

Bond Count [?]

All:	26
Single:	19
Double:	7
Rotors:	7
Chiral:	0
Rigid Segments:	5

Chemical Properties

Molecular Weight:	325.425
H-Bond Donors:	1
H-Bond Acceptors:	2
XLogP:	4.38
LogP (Chemaxon):	4.64

Name Annotations

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Chemical	Mix Source	External ID	Descriptor	Value

Experimental Annotations

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Descriptor Annotations

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Chemical Mix	Source	External ID	Descriptor	Value