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284673-16-1 | 1H-Benzimidazole-5-carboxylic acid, 1-(1-methylethyl)-
CAS No: 284673-16-1 Catalog No: AG002VDS MDL No:MFCD03425154
Product Description
Catalog Number:
AG002VDS
Chemical Name:
1H-Benzimidazole-5-carboxylic acid, 1-(1-methylethyl)-
CAS Number:
284673-16-1
Molecular Formula:
C11H12N2O2
Molecular Weight:
204.2252
MDL Number:
MFCD03425154
IUPAC Name:
1-propan-2-ylbenzimidazole-5-carboxylic acid
InChI:
InChI=1S/C11H12N2O2/c1-7(2)13-6-12-9-5-8(11(14)15)3-4-10(9)13/h3-7H,1-2H3,(H,14,15)
InChI Key:
SQIQIYYPWAELAC-UHFFFAOYSA-N
SMILES:
OC(=O)c1ccc2c(c1)ncn2C(C)C
Properties
Complexity:
255
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
204.09g/mol
Formal Charge:
0
Heavy Atom Count:
15
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
204.229g/mol
Monoisotopic Mass:
204.09g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
55.1A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7
Literature
| Title | Journal |
|---|---|
| 1-Alkyl-benzotriazole-5-carboxylic acids are highly selective agonists of the human orphan G-protein-coupled receptor GPR109b. | Journal of medicinal chemistry 20060223 |
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