Chemical ID: 4706493

c1ccc2c(c1)[nH]c(n2)Cn3cncn3
Chemical ID:
4706493
Name [?]:
2-(1,2,4-triazol-1-ylmethyl)-1H-benzoimidazole
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)Cn3cncn3
InChi [?]:
InChI=1/C10H9N5/c1-2-4-9-8(3-1)13-10(14-9)5-15-7-11-6-12-15/h1-4,6-7H,5H2,(H,13,14)
InChi Info:
AuxInfo=1/1/N:1,2,6,3,10,14,12,5,4,8,13,15,7,9,11/E:(1,2)(3,4)(8,9)(13,14)/rA:15nCCCCCCNCNCNCNCN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;d12;s13;s11d14;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C10H9N5
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:6.24967
Area:368.596
Solvation:-2.96523
Coulombic:-25.8111
Bond Count [?]
All:17
Single:11
Double:6
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:199.212
H-Bond Donors:0
H-Bond Acceptors:0
XLogP:0.76
LogP (Chemaxon):1.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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