ChemDB: Chemical Search
Download
Chemical ID: 3994136
Chemical ID:
3994136
Name [?]:
2-methyl-1-phenyl-benzoimidazole-5-carboxylic acid
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)
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: | C15H12N2O2 |
All Atoms: | 19 |
Heavy Atoms: | 19 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 8.60791 |
Area: | 433.146 |
Solvation: | -2.22074 |
Coulombic: | -39.4119 |
Bond Count [?]
All: | 21 |
Single: | 13 |
Double: | 8 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 252.268 |
H-Bond Donors: | 1 |
H-Bond Acceptors: | 2 |
XLogP: | 3.04 |
LogP (Chemaxon): | 1.51 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical | Mix Source | External ID | Descriptor | Value |
---|
Experimental Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|
Descriptor Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
Chemical Mix | Source | External ID | Descriptor | Value |
---|