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Chemical ID: 6322248
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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Experimental Annotations
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Descriptor Annotations
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