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Chemical ID: 4706493
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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