1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

C13H14FN3O2 — CID 119908923

IUPAC1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C13H14FN3O2/c14-8-3-1-4-9-12(8)16-11(15-9)7-17-6-2-5-10(17)13(18)19/h1,3-4,10H,2,5-7H2,(H,15,16)(H,18,19)
InChIKeyQCDKOIQPWKMWFJ-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.75
Rot. Bonds3

About 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid

1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 119908923) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID119908923
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
SMILESO=C(O)C1CCCN1Cc1nc2c(F)cccc2[nH]1
InChIInChI=1S/C13H14FN3O2/c14-8-3-1-4-9-12(8)16-11(15-9)7-17-6-2-5-10(17)13(18)19/h1,3-4,10H,2,5-7H2,(H,15,16)(H,18,19)
InChIKeyQCDKOIQPWKMWFJ-UHFFFAOYSA-N
XLogP1.75
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.27
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-ol
CID 110931038
1-[(2-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3581738
1-[(2,6-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 65054001
2-[[(2S)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]pyrrolidin-1-yl]methyl]-4-fluoro-1H-benzimidazole
CID 95311602
4-fluoro-2-[[(2S)-2-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]-1H-benzimidazole
CID 95313599
(2R)-1-[(2-chloro-6-fluorophenyl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119914097
1-[(2,3-difluorophenyl)methyl]piperidine-2-carboxylic acid
CID 43659073
4-fluoro-2-[[(2S)-2-(5-methoxy-1,3-dimethylpyrazol-4-yl)pyrrolidin-1-yl]methyl]-1H-benzimidazole
CID 95751044
1-[(3-oxo-4H-quinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43442128
(2R)-N-cyclopropyl-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-2-hydroxyacetamide
CID 129489846
(2S)-1-[(2-chloro-6-fluorophenyl)methyl]piperidine-2-carboxylic acid
CID 86310024
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105

Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid (CID 119908923) is 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is O=C(O)C1CCCN1Cc1nc2c(F)cccc2[nH]1.
What is the InChIKey of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is QCDKOIQPWKMWFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c14-8-3-1-4-9-12(8)16-11(15-9)7-17-6-2-5-10(17)13(18)19/h1,3-4,10H,2,5-7H2,(H,15,16)(H,18,19).
What are the key properties of 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid?
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.75, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119908923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).