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Chemical ID: 4231367
Chemical ID:
4231367
Name [?]:
2-methyl-1-(1-phenylethyl)benzoimidazole
SMILES [?]:
Cc1nc2ccccc2n1C(C)c3ccccc3
InChi [?]:
InChI=1/C16H16N2/c1-12(14-8-4-3-5-9-14)18-13(2)17-15-10-6-7-11-16(15)18/h3-12H,1-2H3
InChi Info:
AuxInfo=1/0/N:12,1,16,15,17,6,7,14,18,5,8,11,2,13,4,9,3,10/E:(4,5)(8,9)/rA:18cCCNCCCCCCNCCCCCCCC/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;s11;s13;d14;s15;d16;d13s17;/rC:;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C16H16N2 |
All Atoms: | 18 |
Heavy Atoms: | 18 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 8.6564 |
Area: | 409.099 |
Solvation: | -1.57108 |
Coulombic: | -14.0189 |
Bond Count [?]
All: | 20 |
Single: | 13 |
Double: | 7 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 236.312 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 0 |
XLogP: | 4.09 |
LogP (Chemaxon): | 4.27 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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