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Chemical ID: 4121885
Chemical ID:
4121885
Name [?]:
2-isopropyl-1H-benzoimidazol-5-amine
SMILES [?]:
CC(C)c1[nH]c2ccc(cc2n1)N
InChi [?]:
InChI=1/C10H13N3/c1-6(2)10-12-8-4-3-7(11)5-9(8)13-10/h3-6H,11H2,1-2H3,(H,12,13)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,10,2,9,6,11,4,13,5,12/E:(1,2)/rA:13nCCCCNCCCCCCNN/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;d4s11;s9;/rC:;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C10H13N3 |
All Atoms: | 13 |
Heavy Atoms: | 13 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.3329 |
Area: | 346.216 |
Solvation: | -1.32251 |
Coulombic: | -32.9908 |
Bond Count [?]
All: | 14 |
Single: | 10 |
Double: | 4 |
Rotors: | 1 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 175.23 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 1 |
XLogP: | 1.28 |
LogP (Chemaxon): | 2.24 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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