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Chemical ID: 6700741
Chemical ID:
6700741
Name [?]:
2-methyl-1-phenyl-benzoimidazole-5-carboxylate
SMILES [?]:
Cc1nc2cc(ccc2n1c3ccccc3)C(=O)[O-]
InChi [?]:
InChI=1/C15H12N2O2/c1-10-16-13-9-11(15(18)19)7-8-14(13)17(10)12-5-3-2-4-6-12/h2-9H,1H3,(H,18,19)/p-1
InChi Info:
AuxInfo=1/1/N:1,14,13,15,12,16,7,8,5,2,6,11,4,9,17,3,10,18,19/E:(3,4)(5,6)(18,19)/rA:19nCCNCCCCCCNCCCCCCCOO-/rB:s1;d2;s3;s4;d5;s6;d7;d4s8;s2s9;s10;s11;d12;s13;d14;d11s15;s6;d17;s17;/rC:;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C15H11N2O2- |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | -32.0901 |
Area: | 431.142 |
Solvation: | -42.8687 |
Coulombic: | -13.3025 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 251.26 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 2 |
XLogP: | 2.56 |
LogP (Chemaxon): | 1.51 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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