Chemical ID: 7118101

c1ccc(cc1)Cc2[nH]c3ccccc3[nH+]2
Chemical ID:
7118101
Name [?]:
2-benzyl-1,3-dihydrobenzoimidazole
SMILES [?]:
c1ccc(cc1)Cc2[nH]c3ccccc3[nH+]2
InChi [?]:
InChI=1/C14H12N2/c1-2-6-11(7-3-1)10-14-15-12-8-4-5-9-13(12)16-14/h1-9H,10H2,(H,15,16)/p+1
InChi Info:
AuxInfo=1/1/N:1,2,6,12,13,3,5,11,14,7,4,10,15,8,9,16/E:(2,3)(4,5)(6,7)(8,9)(12,13)(15,16)/rA:16nCCCCCCCCNCCCCCCN+/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;s9;s10;d11;s12;d13;d10s14;d8s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H13N2+
All Atoms:29
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:-20.8768
Area:389.919
Solvation:-30.6248
Coulombic:-9.3083
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:209.266
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.24
LogP (Chemaxon):3.67

Name Annotations

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Descriptor Annotations

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