Chemical ID: 6322248

CC(C)c1[nH]c2ccc(cc2n1)C(=O)O
Chemical ID:
6322248
Name [?]:
2-isopropyl-1H-benzoimidazole-5-carboxylic acid
SMILES [?]:
CC(C)c1[nH]c2ccc(cc2n1)C(=O)O
InChi [?]:
InChI=1/C11H12N2O2/c1-6(2)10-12-8-4-3-7(11(14)15)5-9(8)13-10/h3-6H,1-2H3,(H,12,13)(H,14,15)
InChi Info:
AuxInfo=1/1/N:1,3,8,7,10,2,9,6,11,4,13,5,12,14,15/E:(1,2)(14,15)/rA:15nCCCCNCCCCCCNCOO/rB:s1;s2;s2;s4;s5;s6;d7;s8;d9;d6s10;d4s11;s9;d13;s13;/rC:;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C11H12N2O2
All Atoms:15
Heavy Atoms:15
Chiral Atoms:0
ZAP Information [?]
Total:7.46559
Area:379.824
Solvation:-2.03
Coulombic:-43.8075
Bond Count [?]
All:16
Single:11
Double:5
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:204.225
H-Bond Donors:1
H-Bond Acceptors:2
XLogP:1.71
LogP (Chemaxon):1.02

Name Annotations

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Descriptor Annotations

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