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Chemical ID: 5753828
Chemical ID:
5753828
Name [?]:
2-(1-naphthylmethyl)-2,5-dihydro-1H-imidazole
SMILES [?]:
c1ccc2c(c1)cccc2CC3NCC=N3
InChi [?]:
InChI=1/C14H14N2/c1-2-7-13-11(4-1)5-3-6-12(13)10-14-15-8-9-16-14/h1-8,14,16H,9-10H2
InChi Info:
AuxInfo=1/0/N:1,2,8,6,7,9,3,15,14,11,5,10,4,12,16,13/rA:16cCCCCCCCCCCCCNCCN/rB:s1;d2;s3;s4;d1s5;d5;s7;d8;d4s9;s10;s11;s12;s13;s14;s12d15;/rC:;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C14H14N2 |
All Atoms: | 16 |
Heavy Atoms: | 16 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 7.78606 |
Area: | 385.208 |
Solvation: | -1.84414 |
Coulombic: | -15.8034 |
Bond Count [?]
All: | 18 |
Single: | 12 |
Double: | 6 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 210.274 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 2.99 |
LogP (Chemaxon): | 2.33 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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