1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid

C14H17N3O2 — CID 84614239

IUPAC1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc2nc(N3CCCC3C(=O)O)[nH]c2cc1C
InChIInChI=1S/C14H17N3O2/c1-8-6-10-11(7-9(8)2)16-14(15-10)17-5-3-4-12(17)13(18)19/h6-7,12H,3-5H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyVLQXCHMKZLUTTF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.23
Rot. Bonds2

About 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid

1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid (PubChem CID 84614239) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid
PubChem CID84614239
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid
SMILESCc1cc2nc(N3CCCC3C(=O)O)[nH]c2cc1C
InChIInChI=1S/C14H17N3O2/c1-8-6-10-11(7-9(8)2)16-14(15-10)17-5-3-4-12(17)13(18)19/h6-7,12H,3-5H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyVLQXCHMKZLUTTF-UHFFFAOYSA-N
XLogP2.23
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-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

1-[1-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 82336575
1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid
CID 82385064
(2R)-1-(4,7-dimethylquinolin-2-yl)pyrrolidine-2-carboxylic acid
CID 120965080
1-[6-oxo-4-(trifluoromethyl)-1H-pyrimidin-2-yl]piperidine-2-carboxylic acid
CID 136741440
1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)-N-cyclopentylpiperidine-4-carboxamide
CID 67033890
(2R)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586856
(2S)-1-(2-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 94586857
(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
1-(6-methylpyrimidin-4-yl)pyrrolidine-2-carboxylic acid
CID 61225686
(2R)-1-(5-bromo-4-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965092
ethyl 1-(5-chloro-6-methyl-1H-benzimidazol-2-yl)piperidine-4-carboxylate
CID 70654030
1-(2-methylpyrimidin-5-yl)pyrrolidine-2-carboxylic acid
CID 112709125

Frequently Asked Questions

What is the IUPAC name of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid (CID 84614239) is 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid is Cc1cc2nc(N3CCCC3C(=O)O)[nH]c2cc1C.
What is the InChIKey of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is VLQXCHMKZLUTTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-8-6-10-11(7-9(8)2)16-14(15-10)17-5-3-4-12(17)13(18)19/h6-7,12H,3-5H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid?
1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 259.31 g/mol, XLogP of 2.23, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 84614239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).