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Chemical ID: 4556120
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
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Experimental Annotations
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Descriptor Annotations
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