Chemical ID: 4764175

c1ccc(cc1)Cn2ccnc2
Chemical ID:
4764175
Name [?]:
1-benzylimidazole
SMILES [?]:
c1ccc(cc1)Cn2ccnc2
InChi [?]:
InChI=1/C10H10N2/c1-2-4-10(5-3-1)8-12-7-6-11-9-12/h1-7,9H,8H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,10,9,7,12,4,11,8/E:(2,3)(4,5)/rA:12nCCCCCCCNCCNC/rB:s1;d2;s3;d4;d1s5;s4;s7;s8;d9;s10;s8d11;/rC:;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H10N2
All Atoms:12
Heavy Atoms:12
Chiral Atoms:0
ZAP Information [?]
Total:6.31972
Area:327.06
Solvation:-1.85679
Coulombic:-11.5364
Bond Count [?]
All:13
Single:8
Double:5
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:158.2
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:1.98
LogP (Chemaxon):1.78

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue