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Chemical ID: 4304960
Chemical ID:
4304960
Name [?]:
2-methyl-1-(1-naphthylmethyl)benzoimidazole
SMILES [?]:
Cc1nc2ccccc2n1Cc3cccc4c3cccc4
InChi [?]:
InChI=1/C19H16N2/c1-14-20-18-11-4-5-12-19(18)21(14)13-16-9-6-8-15-7-2-3-10-17(15)16/h2-12H,13H2,1H3
InChi Info:
AuxInfo=1/0/N:1,20,19,6,7,14,21,15,13,18,5,8,11,2,16,12,17,4,9,3,10/rA:21nCCNCCCCCCNCCCCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s12;d13;s14;d15;d12s16;s17;d18;s19;s16d20;/rC:;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H16N2 |
All Atoms: | 21 |
Heavy Atoms: | 21 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 9.72279 |
Area: | 458.298 |
Solvation: | -1.73466 |
Coulombic: | -14.6323 |
Bond Count [?]
All: | 24 |
Single: | 15 |
Double: | 9 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 2 |
Chemical Properties
Molecular Weight: | 272.344 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.83 |
LogP (Chemaxon): | 4.85 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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