1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid

C13H14FN3O2 — CID 122048394

IUPAC1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESCn1c(N2CCC(C(=O)O)C2)nc2ccc(F)cc21
InChIInChI=1S/C13H14FN3O2/c1-16-11-6-9(14)2-3-10(11)15-13(16)17-5-4-8(7-17)12(18)19/h2-3,6,8H,4-5,7H2,1H3,(H,18,19)
InChIKeyRIMYDJKJMWIYSH-UHFFFAOYSA-N
MW263.27 g/mol
LogP1.62
Rot. Bonds2

About 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid

1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid (PubChem CID 122048394) has the molecular formula C13H14FN3O2 and a molecular weight of 263.27 g/mol. Its IUPAC name is 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
PubChem CID122048394
Molecular FormulaC13H14FN3O2
Molecular Weight263.27 g/mol
Exact Mass263.11
IUPAC Name1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid
SMILESCn1c(N2CCC(C(=O)O)C2)nc2ccc(F)cc21
InChIInChI=1S/C13H14FN3O2/c1-16-11-6-9(14)2-3-10(11)15-13(16)17-5-4-8(7-17)12(18)19/h2-3,6,8H,4-5,7H2,1H3,(H,18,19)
InChIKeyRIMYDJKJMWIYSH-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S)-1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 122059626
(3S)-1-(2,5-difluorophenyl)pyrrolidine-3-carboxylic acid
CID 155285048
1-(6-fluoro-1H-benzimidazol-2-yl)piperidine-4-carboxylic acid
CID 84614259
1-[[4-(6-fluoro-1-methylbenzimidazol-2-yl)morpholin-2-yl]methyl]-3-methylurea
CID 155953100
2-[3-(ethylcarbamoyl)pyrrolidin-1-yl]-1-methylbenzimidazole-5-carboxylic acid
CID 134704013
1-(1-methylbenzimidazol-2-yl)-N-(oxan-4-yl)pyrrolidine-3-carboxamide
CID 171994514
1-[5-chloro-1-(6-fluoroquinolin-2-yl)-6-methylbenzimidazol-2-yl]piperidine-4-carboxylic acid
CID 70653903
1-(1-propylbenzimidazol-2-yl)piperidine-3-carboxylic acid
CID 42880083
1-(6-fluoroquinazolin-4-yl)piperidine-4-carboxylic acid
CID 71563722
N-[2-(3-fluorophenyl)ethyl]-1-(1-methylbenzimidazol-2-yl)piperidine-4-carboxamide
CID 16675649
1-(6-fluoro-1-methylbenzimidazol-2-yl)propan-2-one
CID 83857937
1-(2,5-difluorophenyl)piperidine-3-carboxylic acid
CID 82537830

Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid (CID 122048394) is 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid is Cn1c(N2CCC(C(=O)O)C2)nc2ccc(F)cc21.
What is the InChIKey of 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is RIMYDJKJMWIYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O2/c1-16-11-6-9(14)2-3-10(11)15-13(16)17-5-4-8(7-17)12(18)19/h2-3,6,8H,4-5,7H2,1H3,(H,18,19).
What are the key properties of 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid?
1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 263.27 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1-methylbenzimidazol-2-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 122048394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).