Chemical ID: 4607100

CC1(Nc2cc(=C(C#N)C#N)ccc2=N1)C
Chemical ID:
4607100
Name [?]:
2-(2,2-dimethyl-3H-benzoimidazol-5-ylidene)propanedinitrile
SMILES [?]:
CC1(Nc2cc(=C(C#N)C#N)ccc2=N1)C
InChi [?]:
InChI=1/C12H10N4/c1-12(2)15-10-4-3-8(5-11(10)16-12)9(6-13)7-14/h3-5,16H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,16,12,13,5,8,10,6,7,14,4,2,9,11,15,3/E:(1,2)(6,7)(13,14)/rA:16nCCNCCCCCNCNCCCNC/rB:s1;s2;s3;d4;s5;d6;s7;t8;s7;t10;s6;d12;s4s13;s2d14;s2;/rC:;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C12H10N4
All Atoms:16
Heavy Atoms:16
Chiral Atoms:0
ZAP Information [?]
Total:8.05731
Area:405.158
Solvation:-2.07164
Coulombic:-23.6516
Bond Count [?]
All:17
Single:11
Double:4
Rotors:0
Chiral:0
Rigid Segments:1
Chemical Properties
Molecular Weight:210.235
H-Bond Donors:1
H-Bond Acceptors:4
XLogP:1.03
LogP (Chemaxon):2.08

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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