(2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid

C20H20N4O2 — CID 70716068

IUPAC(2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](n2cnc(-c3ccccc3)c2-c2ccccn2)C[C@H]1C(=O)O
InChIInChI=1S/C20H20N4O2/c1-23-12-15(11-17(23)20(25)26)24-13-22-18(14-7-3-2-4-8-14)19(24)16-9-5-6-10-21-16/h2-10,13,15,17H,11-12H2,1H3,(H,25,26)/t15-,17-/m0/s1
InChIKeyZMCWLIMJNAMURC-RDJZCZTQSA-N
MW348.41 g/mol
LogP2.94
Rot. Bonds4

About (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid

(2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid (PubChem CID 70716068) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid
PubChem CID70716068
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name(2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid
SMILESCN1C[C@@H](n2cnc(-c3ccccc3)c2-c2ccccn2)C[C@H]1C(=O)O
InChIInChI=1S/C20H20N4O2/c1-23-12-15(11-17(23)20(25)26)24-13-22-18(14-7-3-2-4-8-14)19(24)16-9-5-6-10-21-16/h2-10,13,15,17H,11-12H2,1H3,(H,25,26)/t15-,17-/m0/s1
InChIKeyZMCWLIMJNAMURC-RDJZCZTQSA-N
XLogP2.94
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid?
The IUPAC name of (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid (CID 70716068) is (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid is CN1C[C@@H](n2cnc(-c3ccccc3)c2-c2ccccn2)C[C@H]1C(=O)O.
What is the InChIKey of (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid?
The InChIKey is ZMCWLIMJNAMURC-RDJZCZTQSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-23-12-15(11-17(23)20(25)26)24-13-22-18(14-7-3-2-4-8-14)19(24)16-9-5-6-10-21-16/h2-10,13,15,17H,11-12H2,1H3,(H,25,26)/t15-,17-/m0/s1.
What are the key properties of (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid?
(2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid has a molecular weight of 348.41 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-methyl-4-(4-phenyl-5-pyridin-2-ylimidazol-1-yl)pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 70716068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).