2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide

C17H20N4O3 — CID 28957331

IUPAC2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCNC(=O)c1nc([C@@H]2CC(=O)N(c3ccccc3OC)C2)[nH]c1C
InChIInChI=1S/C17H20N4O3/c1-10-15(17(23)18-2)20-16(19-10)11-8-14(22)21(9-11)12-6-4-5-7-13(12)24-3/h4-7,11H,8-9H2,1-3H3,(H,18,23)(H,19,20)/t11-/m1/s1
InChIKeyAMAYAOIXGRHYHD-LLVKDONJSA-N
MW328.37 g/mol
LogP1.61
Rot. Bonds4

About 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide

2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide (PubChem CID 28957331) has the molecular formula C17H20N4O3 and a molecular weight of 328.37 g/mol. Its IUPAC name is 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide.

Molecular Properties

Compound Name2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
PubChem CID28957331
Molecular FormulaC17H20N4O3
Molecular Weight328.37 g/mol
Exact Mass328.15
IUPAC Name2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
SMILESCNC(=O)c1nc([C@@H]2CC(=O)N(c3ccccc3OC)C2)[nH]c1C
InChIInChI=1S/C17H20N4O3/c1-10-15(17(23)18-2)20-16(19-10)11-8-14(22)21(9-11)12-6-4-5-7-13(12)24-3/h4-7,11H,8-9H2,1-3H3,(H,18,23)(H,19,20)/t11-/m1/s1
InChIKeyAMAYAOIXGRHYHD-LLVKDONJSA-N
XLogP1.61
TPSA87.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide with MolForge

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Related Compounds

2-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide
CID 28957330
1-(2-methoxyphenyl)-4-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-2-one
CID 4697742
1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 2941796
(4R)-1-(2-methoxyphenyl)-4-[5-(1,3,5-trimethylpyrazol-4-yl)-1H-imidazol-2-yl]pyrrolidin-2-one
CID 31161681
(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 51584425
(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carbonyl chloride
CID 94075915
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-1H-pyrazole-4-carboxamide
CID 99937887
(3S)-1-(2-methoxyphenyl)-N-(6-methyl-2-pyridinyl)-5-oxopyrrolidine-3-carboxamide
CID 35036236
ethyl (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 94075916
(3R)-N-(2-methoxy-5-methylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 9098300
(3S)-N-(3,4-dimethylphenyl)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxamide
CID 26915395
(4-methoxyphenyl) (3R)-1-(2-methoxyphenyl)-5-oxopyrrolidine-3-carboxylate
CID 9057175

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The IUPAC name of 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide (CID 28957331) is 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide.
What is the SMILES notation for 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The canonical SMILES for 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide is CNC(=O)c1nc([C@@H]2CC(=O)N(c3ccccc3OC)C2)[nH]c1C.
What is the InChIKey of 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
The InChIKey is AMAYAOIXGRHYHD-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N4O3/c1-10-15(17(23)18-2)20-16(19-10)11-8-14(22)21(9-11)12-6-4-5-7-13(12)24-3/h4-7,11H,8-9H2,1-3H3,(H,18,23)(H,19,20)/t11-/m1/s1.
What are the key properties of 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide?
2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-N,5-dimethyl-1H-imidazole-4-carboxamide is sourced from PubChem (CID 28957331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).