Chemical ID: 6404105

c1ccc(cc1)n2cnc3c2ccc(c3)N
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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