(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid

C13H14FN3O2 — CID 122059626

IUPAC(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCn1c(N2CCC[C@H]2C(=O)O)nc2ccc(F)cc21
InChIInChI=1S/C13H14FN3O2/c1-16-11-7-8(14)4-5-9(11)15-13(16)17-6-2-3-10(17)12(18)19/h4-5,7,10H,2-3,6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWWPYOVKGSUVCPR-JTQLQIEISA-N
MW263.27 g/mol
LogP1.77
Rot. Bonds2

About (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid

(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 122059626) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID122059626
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCn1c(N2CCC[C@H]2C(=O)O)nc2ccc(F)cc21
InChIInChI=1S/C13H14FN3O2/c1-16-11-7-8(14)4-5-9(11)15-13(16)17-6-2-3-10(17)12(18)19/h4-5,7,10H,2-3,6H2,1H3,(H,18,19)/t10-/m0/s1
InChIKeyWWPYOVKGSUVCPR-JTQLQIEISA-N
XLogP1.77
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid (CID 122059626) is (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid is Cn1c(N2CCC[C@H]2C(=O)O)nc2ccc(F)cc21.
What is the InChIKey of (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is WWPYOVKGSUVCPR-JTQLQIEISA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-16-11-7-8(14)4-5-9(11)15-13(16)17-6-2-3-10(17)12(18)19/h4-5,7,10H,2-3,6H2,1H3,(H,18,19)/t10-/m0/s1.
What are the key properties of (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 122059626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).