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Chemical ID: 6726273
Chemical ID:
6726273
Name [?]:
1-[(4-chlorophenyl)methyl]-2-(methoxymethyl)benzoimidazole
SMILES [?]:
COCc1nc2ccccc2n1Cc3ccc(cc3)Cl
InChi [?]:
InChI=1/C16H15ClN2O/c1-20-11-16-18-14-4-2-3-5-15(14)19(16)10-12-6-8-13(17)9-7-12/h2-9H,10-11H2,1H3
InChi Info:
AuxInfo=1/0/N:1,8,9,7,10,15,19,16,18,13,3,14,17,6,11,4,20,5,12,2/E:(6,7)(8,9)/rA:20nCOCCNCCCCCCNCCCCCCCCl/rB:s1;s2;s3;d4;s5;s6;d7;s8;d9;d6s10;s4s11;s12;s13;s14;d15;s16;d17;d14s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H15ClN2O |
All Atoms: | 35 |
Heavy Atoms: | 20 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.09985 |
Area: | 462.058 |
Solvation: | -3.4516 |
Coulombic: | -22.2124 |
Bond Count [?]
All: | 22 |
Single: | 15 |
Double: | 7 |
Rotors: | 4 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 286.756 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 1 |
XLogP: | 3.67 |
LogP (Chemaxon): | 4.09 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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