(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid

C14H12FN3O2 — CID 143212199

IUPAC(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1nc2ccc(F)cc2[nH]1)n1cccc1
InChIInChI=1S/C14H12FN3O2/c15-9-3-4-10-11(7-9)17-13(16-10)8-12(14(19)20)18-5-1-2-6-18/h1-7,12H,8H2,(H,16,17)(H,19,20)/t12-/m1/s1
InChIKeyODDHPXLPRFSEJH-GFCCVEGCSA-N
MW273.27 g/mol
LogP2.37
Rot. Bonds4

About (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid

(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid (PubChem CID 143212199) has the molecular formula C14H12FN3O2 and a molecular weight of 273.27 g/mol. Its IUPAC name is (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid.

Molecular Properties

Compound Name(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid
PubChem CID143212199
Molecular FormulaC14H12FN3O2
Molecular Weight273.27 g/mol
Exact Mass273.09
IUPAC Name(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid
SMILESO=C(O)[C@@H](Cc1nc2ccc(F)cc2[nH]1)n1cccc1
InChIInChI=1S/C14H12FN3O2/c15-9-3-4-10-11(7-9)17-13(16-10)8-12(14(19)20)18-5-1-2-6-18/h1-7,12H,8H2,(H,16,17)(H,19,20)/t12-/m1/s1
InChIKeyODDHPXLPRFSEJH-GFCCVEGCSA-N
XLogP2.37
TPSA70.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 52.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid?
The IUPAC name of (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid (CID 143212199) is (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid.
What is the SMILES notation for (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid?
The canonical SMILES for (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid is O=C(O)[C@@H](Cc1nc2ccc(F)cc2[nH]1)n1cccc1.
What is the InChIKey of (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid?
The InChIKey is ODDHPXLPRFSEJH-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H12FN3O2/c15-9-3-4-10-11(7-9)17-13(16-10)8-12(14(19)20)18-5-1-2-6-18/h1-7,12H,8H2,(H,16,17)(H,19,20)/t12-/m1/s1.
What are the key properties of (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid?
(2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid has a molecular weight of 273.27 g/mol, XLogP of 2.37, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-(6-fluoro-1H-benzimidazol-2-yl)-2-pyrrol-1-ylpropanoic acid is sourced from PubChem (CID 143212199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).