Chemical ID: 6715558

Cc1ccccc1Cn2c3ccccc3[nH+]c2COC
Chemical ID:
6715558
Name [?]:
2-(methoxymethyl)-1-(o-tolylmethyl)-3H-benzoimidazole
SMILES [?]:
Cc1ccccc1Cn2c3ccccc3[nH+]c2COC
InChi [?]:
InChI=1/C17H18N2O/c1-13-7-3-4-8-14(13)11-19-16-10-6-5-9-15(16)18-17(19)12-20-2/h3-10H,11-12H2,1-2H3/p+1
InChi Info:
AuxInfo=1/1/N:1,20,4,5,13,12,3,6,14,11,8,18,2,7,15,10,17,16,9,19/rA:20nCCCCCCCCNCCCCCCN+CCOC/rB:s1;s2;d3;s4;d5;d2s6;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;s9d16;s17;s18;s19;/rC:;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H19N2O+
All Atoms:20
Heavy Atoms:20
Chiral Atoms:0
ZAP Information [?]
Total:-16.9613
Area:465.407
Solvation:-28.5965
Coulombic:-17.5867
Bond Count [?]
All:22
Single:15
Double:7
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:267.346
H-Bond Donors:0
H-Bond Acceptors:1
XLogP:3.64
LogP (Chemaxon):4.04

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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