2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid

C13H14N4O2 — CID 129096546

IUPAC2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H14N4O2/c18-13(19)17-7-3-5-11(17)12-15-8-10(16-12)9-4-1-2-6-14-9/h1-2,4,6,8,11H,3,5,7H2,(H,15,16)(H,18,19)
InChIKeyBIXXYAOGCSNYDM-UHFFFAOYSA-N
MW258.28 g/mol
LogP2.29
Rot. Bonds2

About 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid

2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid (PubChem CID 129096546) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
PubChem CID129096546
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
SMILESO=C(O)N1CCCC1c1ncc(-c2ccccn2)[nH]1
InChIInChI=1S/C13H14N4O2/c18-13(19)17-7-3-5-11(17)12-15-8-10(16-12)9-4-1-2-6-14-9/h1-2,4,6,8,11H,3,5,7H2,(H,15,16)(H,18,19)
InChIKeyBIXXYAOGCSNYDM-UHFFFAOYSA-N
XLogP2.29
TPSA82.11 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 52.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-[4-(4-bromophenyl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 67414908
2-[5-(3-fluorophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 129096469
(2S)-2-[5-(4-cyanophenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 90259688
2-[5-(4-bromonaphthalen-2-yl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 154015559
(2S)-2-(5-tert-butyl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid
CID 175507470
(2S)-2-[5-[2-[(2S)-1-[(2R)-2-(methoxycarbonylamino)-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 175263893
(2S)-2-[5-[3-[3-[2-[(2S)-1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 68608639
trans-(1S,2S)-2-(5-pyridin-2-yl-1H-imidazol-2-yl)cyclopropane-1-carboxylic acid
CID 135377670
(2S)-2-[5-[4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)phenyl]-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
CID 66848089
(2R)-2-amino-1-[2-[5-[4-[4-[2-[(2S)-1-[(2R)-2-amino-2-phenylacetyl]pyrrolidin-2-yl]-1H-imidazol-5-yl]phenyl]phenyl]-1H-imidazol-2-yl]pyrrolidin-1-yl]-2-phenylethanone
CID 71101886
tert-butyl 2-[5-(4-phenylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylate
CID 66780708
[(2R)-2-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]-(thiadiazol-5-yl)methanone
CID 124621634

Frequently Asked Questions

What is the IUPAC name of 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
The IUPAC name of 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid (CID 129096546) is 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid.
What is the SMILES notation for 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
The canonical SMILES for 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid is O=C(O)N1CCCC1c1ncc(-c2ccccn2)[nH]1.
What is the InChIKey of 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
The InChIKey is BIXXYAOGCSNYDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c18-13(19)17-7-3-5-11(17)12-15-8-10(16-12)9-4-1-2-6-14-9/h1-2,4,6,8,11H,3,5,7H2,(H,15,16)(H,18,19).
What are the key properties of 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid?
2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid has a molecular weight of 258.28 g/mol, XLogP of 2.29, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-pyridin-2-yl-1H-imidazol-2-yl)pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 129096546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).