(4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid

C20H20N4O4 — CID 166771160

IUPAC(4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESCC1(c2ccc(-c3cccnc3)cc2)N=C(C2C[C@@H](O)CN2C(=O)O)NC1=O
InChIInChI=1S/C20H20N4O4/c1-20(14-6-4-12(5-7-14)13-3-2-8-21-10-13)18(26)22-17(23-20)16-9-15(25)11-24(16)19(27)28/h2-8,10,15-16,25H,9,11H2,1H3,(H,27,28)(H,22,23,26)/t15-,16?,20?/m1/s1
InChIKeyMURVAEKNMHLLBE-LSWWBPAMSA-N
MW380.40 g/mol
LogP1.61
Rot. Bonds3

About (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid

(4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid (PubChem CID 166771160) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
PubChem CID166771160
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name(4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid
SMILESCC1(c2ccc(-c3cccnc3)cc2)N=C(C2C[C@@H](O)CN2C(=O)O)NC1=O
InChIInChI=1S/C20H20N4O4/c1-20(14-6-4-12(5-7-14)13-3-2-8-21-10-13)18(26)22-17(23-20)16-9-15(25)11-24(16)19(27)28/h2-8,10,15-16,25H,9,11H2,1H3,(H,27,28)(H,22,23,26)/t15-,16?,20?/m1/s1
InChIKeyMURVAEKNMHLLBE-LSWWBPAMSA-N
XLogP1.61
TPSA115.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 51.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-hydroxy-1-[3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572787
(4S)-2-[(2S,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-1H-imidazol-5-one
CID 142572853
(4S)-2-[(2R,4R)-1-[(2S)-1-acetylpiperidine-2-carbonyl]-4-hydroxypyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572468
(4S)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4S)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2R)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2R,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one;(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-(4-pyridin-3-ylphenyl)-3H-pyrrol-5-one
CID 161037145
6-[4-[(4R)-2-[(2S,4R)-4-hydroxy-1-[(2S)-3-methyl-2-(3-methyl-1,2-oxazol-5-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-5-oxo-1H-imidazol-4-yl]phenyl]-1-methylpyridin-2-one
CID 142572498
N-[1-[(2S,4R)-4-hydroxy-2-[4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3,3-dimethyl-1-oxobutan-2-yl]acetamide
CID 166771180
(4S)-2-[(4R)-4-hydroxy-1-[(2S)-1-methylsulfonylpiperidine-2-carbonyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 142572827
2-[(2S,4R)-4-hydroxy-1-(1-methylsulfonylpiperidine-2-carbonyl)pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 166771149
(4R)-2-[(2S,4R)-4-hydroxy-1-[(2R)-2-(3-methoxy-1,2-oxazol-5-yl)-3-methylbutanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 159593323
5-[1-[(4R)-4-hydroxy-2-[(4S)-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-5-oxo-1H-imidazol-2-yl]pyrrolidin-1-yl]-3-methyl-1-oxobutan-2-yl]-1,2-oxazol-3-one
CID 142572522
(4S)-2-[(4R)-4-hydroxy-1-[(2S)-3-methyl-2-(1-methyltriazol-4-yl)butanoyl]pyrrolidin-2-yl]-4-methyl-4-[4-(4-methyl-1,3-thiazol-5-yl)phenyl]-1H-imidazol-5-one
CID 166779169
3-[4-(1-methylcyclopropyl)phenyl]pyridine
CID 90269531

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid (CID 166771160) is (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid is CC1(c2ccc(-c3cccnc3)cc2)N=C(C2C[C@@H](O)CN2C(=O)O)NC1=O.
What is the InChIKey of (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
The InChIKey is MURVAEKNMHLLBE-LSWWBPAMSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-20(14-6-4-12(5-7-14)13-3-2-8-21-10-13)18(26)22-17(23-20)16-9-15(25)11-24(16)19(27)28/h2-8,10,15-16,25H,9,11H2,1H3,(H,27,28)(H,22,23,26)/t15-,16?,20?/m1/s1.
What are the key properties of (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid?
(4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid has a molecular weight of 380.40 g/mol, XLogP of 1.61, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-2-[4-methyl-5-oxo-4-(4-pyridin-3-ylphenyl)-1H-imidazol-2-yl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 166771160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).