Chemical ID: 4556120

c1ccc2c(c1)[nH]c(n2)CCC(c3[nH]c4ccccc4n3)N
Chemical ID:
4556120
Name [?]:
1,3-bis(1H-benzoimidazol-2-yl)propan-1-amine
SMILES [?]:
c1ccc2c(c1)[nH]c(n2)CCC(c3[nH]c4ccccc4n3)N
InChi [?]:
InChI=1/C17H17N5/c18-11(17-21-14-7-3-4-8-15(14)22-17)9-10-16-19-12-5-1-2-6-13(12)20-16/h1-8,11H,9-10,18H2,(H,19,20)(H,21,22)
InChi Info:
AuxInfo=1/1/N:1,2,17,18,6,3,16,19,11,10,12,5,4,15,20,8,13,22,7,9,14,21/E:(1,2)(3,4)(5,6)(7,8)(12,13)(14,15)(19,20)(21,22)/rA:22cCCCCCCNCNCCCCNCCCCCCNN/rB:s1;d2;s3;d4;d1s5;s5;s7;s4d8;s8;s10;s11;s12;s13;s14;s15;d16;s17;d18;d15s19;d13s20;s12;/rC:;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H17N5
All Atoms:22
Heavy Atoms:22
Chiral Atoms:1
ZAP Information [?]
Total:10.1775
Area:501.991
Solvation:-2.37228
Coulombic:-46.3518
Bond Count [?]
All:25
Single:17
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:291.351
H-Bond Donors:2
H-Bond Acceptors:1
XLogP:2.08
LogP (Chemaxon):3.09

Name Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

ChemicalMix SourceExternal IDDescriptorValue

Experimental Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue

Descriptor Annotations

Note: All annotations are abbreviated. For more detailed information please download chemical.

Chemical MixSourceExternal IDDescriptorValue