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Chemical ID: 6404105
Chemical ID:
6404105
Name [?]:
1-phenylbenzoimidazol-5-amine
SMILES [?]:
c1ccc(cc1)n2cnc3c2ccc(c3)N
InChi [?]:
InChI=1/C13H11N3/c14-10-6-7-13-12(8-10)15-9-16(13)11-4-2-1-3-5-11/h1-9H,14H2
InChi Info:
AuxInfo=1/0/N:1,2,6,3,5,13,12,15,8,14,4,10,11,16,9,7/E:(2,3)(4,5)/rA:16nCCCCCCNCNCCCCCCN/rB:s1;d2;s3;d4;d1s5;s4;s7;d8;s9;s7s10;d11;s12;d13;d10s14;s14;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C13H11N3 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.88583 |
Area: | 381.107 |
Solvation: | -1.64184 |
Coulombic: | -28.6923 |
Bond Count [?]
All: | 18 |
Single: | 11 |
Double: | 7 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 209.247 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 2.37 |
LogP (Chemaxon): | 2.42 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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