Chemical ID: 4516034

c1cc(c(cc1c2[nH]c3ccc(c(c3n2)Cl)N)Cl)N
Chemical ID:
4516034
Name [?]:
2-(4-amino-3-chloro-phenyl)-4-chloro-1H-benzoimidazol-5-amine
SMILES [?]:
c1cc(c(cc1c2[nH]c3ccc(c(c3n2)Cl)N)Cl)N
InChi [?]:
InChI=1/C13H10Cl2N4/c14-7-5-6(1-2-8(7)16)13-18-10-4-3-9(17)11(15)12(10)19-13/h1-5H,16-17H2,(H,18,19)
InChi Info:
AuxInfo=1/1/N:1,2,11,10,5,6,4,3,12,9,13,14,7,18,16,19,17,8,15/rA:19nCCCCCCCNCCCCCCNClNClN/rB:s1;d2;s3;d4;d1s5;s6;s7;s8;s9;d10;s11;d12;d9s13;d7s14;s13;s12;s4;s3;/rC:;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C13H10Cl2N4
All Atoms:19
Heavy Atoms:19
Chiral Atoms:0
ZAP Information [?]
Total:9.9812
Area:465.474
Solvation:-1.65565
Coulombic:-51.5815
Bond Count [?]
All:21
Single:14
Double:7
Rotors:1
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:293.151
H-Bond Donors:4
H-Bond Acceptors:2
XLogP:2.46
LogP (Chemaxon):3.31

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