Chemical ID: 4215040

c1ccc(cc1)Cn2cnc3c2cccc3
Chemical ID:
4215040
Name [?]:
1-benzylbenzoimidazole
SMILES [?]:
c1ccc(cc1)Cn2cnc3c2cccc3
InChi [?]:
InChI=1/C14H12N2/c1-2-6-12(7-3-1)10-16-11-15-13-8-4-5-9-14(13)16/h1-9,11H,10H2
InChi Info:
AuxInfo=1/0/N:1,2,6,15,14,3,5,16,13,7,9,4,11,12,10,8/E:(2,3)(6,7)/rA:16nCCCCCCCNCNCCCCCC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8s11;d12;s13;d14;d11s15;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C14H12N2
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:7.74835
Area:381.472
Solvation:-1.78846
Coulombic:-13.8107
Bond Count [?]
All:18
Single:11
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:208.259
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:3.33
LogP (Chemaxon):3.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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