(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

C20H23N5O2 — CID 31161681

IUPAC(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](c2ncc(-c3c(C)nn(C)c3C)[nH]2)CC1=O
InChIInChI=1S/C20H23N5O2/c1-12-19(13(2)24(3)23-12)15-10-21-20(22-15)14-9-18(26)25(11-14)16-7-5-6-8-17(16)27-4/h5-8,10,14H,9,11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyVLHWAMLFOQFLIV-CQSZACIVSA-N
MW365.44 g/mol
LogP2.96
Rot. Bonds4

About (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one

(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (PubChem CID 31161681) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.

Molecular Properties

Compound Name(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
PubChem CID31161681
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
SMILESCOc1ccccc1N1C[C@H](c2ncc(-c3c(C)nn(C)c3C)[nH]2)CC1=O
InChIInChI=1S/C20H23N5O2/c1-12-19(13(2)24(3)23-12)15-10-21-20(22-15)14-9-18(26)25(11-14)16-7-5-6-8-17(16)27-4/h5-8,10,14H,9,11H2,1-4H3,(H,21,22)/t14-/m1/s1
InChIKeyVLHWAMLFOQFLIV-CQSZACIVSA-N
XLogP2.96
TPSA76.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957330
2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957331
(4S)-1-[(2-methoxyphenyl)methyl]-4-[5-(2-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 30882284
4-[5-(2-methoxyphenyl)-1H-imidazol-2-yl]-1-(2-methylpropyl)pyrrolidin-2-one
CID 45202527
[(2R)-1-oxo-1-[(1,3,5-trimethylpyrazol-4-yl)amino]propan-2-yl] (3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 8881842
1-[(2-methoxyphenyl)methyl]-4-[5-(3-methylphenyl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 45222470
(4R)-4-[5-(2-fluorophenyl)-1H-imidazol-2-yl]-1-[(2-methoxyphenyl)methyl]pyrrolidin-2-one
CID 31192333
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
4-isocyanato-1-(2-methoxyphenyl)pyrrolidin-2-one
CID 82024637
1-(2-methoxyphenyl)-4-(sulfanylmethyl)pyrrolidin-2-one
CID 168670200

Frequently Asked Questions

What is the IUPAC name of (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The IUPAC name of (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one (CID 31161681) is (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one.
What is the SMILES notation for (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The canonical SMILES for (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is COc1ccccc1N1C[C@H](c2ncc(-c3c(C)nn(C)c3C)[nH]2)CC1=O.
What is the InChIKey of (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
The InChIKey is VLHWAMLFOQFLIV-CQSZACIVSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-19(13(2)24(3)23-12)15-10-21-20(22-15)14-9-18(26)25(11-14)16-7-5-6-8-17(16)27-4/h5-8,10,14H,9,11H2,1-4H3,(H,21,22)/t14-/m1/s1.
What are the key properties of (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one?
(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one has a molecular weight of 365.44 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one is sourced from PubChem (CID 31161681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).