6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid

C13H16FN3O2 — CID 82091700

IUPAC6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)n1cnc2cc(C(=O)O)c(N(C)C)c(F)c21
InChIInChI=1S/C13H16FN3O2/c1-7(2)17-6-15-9-5-8(13(18)19)11(16(3)4)10(14)12(9)17/h5-7H,1-4H3,(H,18,19)
InChIKeyTZNXAZGDWGZDHF-UHFFFAOYSA-N
MW265.29 g/mol
LogP2.52
Rot. Bonds3

About 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid

6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid (PubChem CID 82091700) has the molecular formula C13H16FN3O2 and a molecular weight of 265.29 g/mol. Its IUPAC name is 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid.

Molecular Properties

Compound Name6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid
PubChem CID82091700
Molecular FormulaC13H16FN3O2
Molecular Weight265.29 g/mol
Exact Mass265.12
IUPAC Name6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid
SMILESCC(C)n1cnc2cc(C(=O)O)c(N(C)C)c(F)c21
InChIInChI=1S/C13H16FN3O2/c1-7(2)17-6-15-9-5-8(13(18)19)11(16(3)4)10(14)12(9)17/h5-7H,1-4H3,(H,18,19)
InChIKeyTZNXAZGDWGZDHF-UHFFFAOYSA-N
XLogP2.52
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.29
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid?
The IUPAC name of 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid (CID 82091700) is 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid.
What is the SMILES notation for 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid?
The canonical SMILES for 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid is CC(C)n1cnc2cc(C(=O)O)c(N(C)C)c(F)c21.
What is the InChIKey of 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid?
The InChIKey is TZNXAZGDWGZDHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O2/c1-7(2)17-6-15-9-5-8(13(18)19)11(16(3)4)10(14)12(9)17/h5-7H,1-4H3,(H,18,19).
What are the key properties of 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid?
6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid has a molecular weight of 265.29 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(dimethylamino)-7-fluoro-1-propan-2-ylbenzimidazole-5-carboxylic acid is sourced from PubChem (CID 82091700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).