1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid

C15H19N3O2 — CID 119908763

IUPAC1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCn1c(CCN2CCCC2C(=O)O)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-17-12-6-3-2-5-11(12)16-14(17)8-10-18-9-4-7-13(18)15(19)20/h2-3,5-6,13H,4,7-10H2,1H3,(H,19,20)
InChIKeyDBJZVVUETDFVCD-UHFFFAOYSA-N
MW273.34 g/mol
LogP1.66
Rot. Bonds4

About 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid

1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid (PubChem CID 119908763) has the molecular formula C15H19N3O2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
PubChem CID119908763
Molecular FormulaC15H19N3O2
Molecular Weight273.34 g/mol
Exact Mass273.15
IUPAC Name1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
SMILESCn1c(CCN2CCCC2C(=O)O)nc2ccccc21
InChIInChI=1S/C15H19N3O2/c1-17-12-6-3-2-5-11(12)16-14(17)8-10-18-9-4-7-13(18)15(19)20/h2-3,5-6,13H,4,7-10H2,1H3,(H,19,20)
InChIKeyDBJZVVUETDFVCD-UHFFFAOYSA-N
XLogP1.66
TPSA58.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(2R)-2-[(2R)-1-[(1-methylbenzimidazol-2-yl)methyl]pyrrolidin-2-yl]pyrrolidin-1-yl]propan-1-one
CID 95315384
(2S)-1-[2-(1H-pyrrol-2-yl)ethyl]pyrrolidine-2-carboxylic acid
CID 175401357
1-cyclopentyl-2-(1-methylbenzimidazol-2-yl)ethanone
CID 79753927
1-[(3-methylquinoxalin-2-yl)methyl]pyrrolidine-2-carboxylic acid;hydrochloride
CID 119909636
(3S,4S)-1-[2-(1-methylbenzimidazol-2-yl)ethyl]-4-(trifluoromethyl)pyrrolidine-3-carboxylic acid
CID 120953984
4-(1-methylbenzimidazol-2-yl)butanoic acid;hydrochloride
CID 71828515
3-(1-methylbenzimidazol-2-yl)propanoate
CID 7036074
1-methyl-2-[4-(1-methylbenzimidazol-2-yl)butyl]benzimidazole
CID 171320881
(2R)-1-[2-(N-methylanilino)ethyl]pyrrolidine-2-carboxylic acid
CID 119913957
1-[(1-methylbenzimidazol-2-yl)methyl]cycloheptane-1-carboxylic acid
CID 43470977
4-[(1-methylbenzimidazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 120509662
1-cycloheptyl-3-(1-methylbenzimidazol-2-yl)propan-2-one
CID 115782360

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid (CID 119908763) is 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid is Cn1c(CCN2CCCC2C(=O)O)nc2ccccc21.
What is the InChIKey of 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is DBJZVVUETDFVCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2/c1-17-12-6-3-2-5-11(12)16-14(17)8-10-18-9-4-7-13(18)15(19)20/h2-3,5-6,13H,4,7-10H2,1H3,(H,19,20).
What are the key properties of 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid?
1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 273.34 g/mol, XLogP of 1.66, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-methylbenzimidazol-2-yl)ethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 119908763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).