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Chemical ID: 4660834
Chemical ID:
4660834
Name [?]:
1-[(2-methoxyphenyl)methyl]-2-methyl-benzoimidazole
SMILES [?]:
Cc1nc2ccccc2n1Cc3ccccc3OC
InChi [?]:
InChI=1/C16H16N2O/c1-12-17-14-8-4-5-9-15(14)18(12)11-13-7-3-6-10-16(13)19-2/h3-10H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,19,14,6,7,15,13,5,8,16,11,2,12,4,9,17,3,10,18/rA:19nCCNCCCCCCNCCCCCCCOC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s12;d13;s14;d15;d12s16;s17;s18;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2O |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 7.82963 |
Area: | 417.905 |
Solvation: | -2.618 |
Coulombic: | -20.3213 |
Bond Count [?]
All: | 21 |
Single: | 14 |
Double: | 7 |
Rotors: | 3 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.311 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.48 |
LogP (Chemaxon): | 3.6 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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