Chemical ID: 3994136

Cc1nc2cc(ccc2n1c3ccccc3)C(=O)O
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

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