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

C13H15N3O2 — CID 82385064

IUPAC1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nc2c(N3CCCC3C(=O)O)cccc2[nH]1
InChIInChI=1S/C13H15N3O2/c1-8-14-9-4-2-5-10(12(9)15-8)16-7-3-6-11(16)13(17)18/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyCGLKZYACDOHPDS-UHFFFAOYSA-N
MW245.28 g/mol
LogP1.92
Rot. Bonds2

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

1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid (PubChem CID 82385064) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid
PubChem CID82385064
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid
SMILESCc1nc2c(N3CCCC3C(=O)O)cccc2[nH]1
InChIInChI=1S/C13H15N3O2/c1-8-14-9-4-2-5-10(12(9)15-8)16-7-3-6-11(16)13(17)18/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)(H,17,18)
InChIKeyCGLKZYACDOHPDS-UHFFFAOYSA-N
XLogP1.92
TPSA69.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 51.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-1-(6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120964948
2-methyl-4-piperazin-1-yl-1H-benzimidazole
CID 13180225
1-(2-methyl-8-nitroquinolin-4-yl)pyrrolidine-2-carboxylic acid
CID 122058826
1-(5,6-dimethyl-1H-benzimidazol-2-yl)pyrrolidine-2-carboxylic acid
CID 84614239
(2R)-1-(5-bromo-6-methyl-2-pyridinyl)pyrrolidine-2-carboxylic acid
CID 120965105
1-[3-(4-methyl-1H-benzimidazol-2-yl)propanoyl]pyrrolidine-2-carboxylic acid
CID 119356105
(2R)-1-(1,5-naphthyridin-4-yl)pyrrolidine-2-carboxylic acid
CID 122051669
1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 119908923
(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-(5-methyl-2-propan-2-ylphenyl)pyrrolidine-2-carboxylic acid
CID 175762753
1-(2-carbamoyl-3-fluorophenyl)pyrrolidine-2-carboxylic acid
CID 79513371

Frequently Asked Questions

What is the IUPAC name of 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid (CID 82385064) is 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid is Cc1nc2c(N3CCCC3C(=O)O)cccc2[nH]1.
What is the InChIKey of 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is CGLKZYACDOHPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-14-9-4-2-5-10(12(9)15-8)16-7-3-6-11(16)13(17)18/h2,4-5,11H,3,6-7H2,1H3,(H,14,15)(H,17,18).
What are the key properties of 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid?
1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 245.28 g/mol, XLogP of 1.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methyl-1H-benzimidazol-4-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 82385064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).