(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide

C23H26N4O3 — CID 51587523

IUPAC(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)[C@H](C)Cn2c(C)nc3ccccc32)CC1=O
InChIInChI=1S/C23H26N4O3/c1-15(13-26-16(2)24-18-8-4-5-9-19(18)26)23(29)25-17-12-22(28)27(14-17)20-10-6-7-11-21(20)30-3/h4-11,15,17H,12-14H2,1-3H3,(H,25,29)/t15-,17-/m1/s1
InChIKeyGWOAQSDJCXGQAQ-NVXWUHKLSA-N
MW406.49 g/mol
LogP2.91
Rot. Bonds6

About (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide

(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide (PubChem CID 51587523) has the molecular formula C23H26N4O3 and a molecular weight of 406.49 g/mol. Its IUPAC name is (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide.

Molecular Properties

Compound Name(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide
PubChem CID51587523
Molecular FormulaC23H26N4O3
Molecular Weight406.49 g/mol
Exact Mass406.20
IUPAC Name(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide
SMILESCOc1ccccc1N1C[C@H](NC(=O)[C@H](C)Cn2c(C)nc3ccccc32)CC1=O
InChIInChI=1S/C23H26N4O3/c1-15(13-26-16(2)24-18-8-4-5-9-19(18)26)23(29)25-17-12-22(28)27(14-17)20-10-6-7-11-21(20)30-3/h4-11,15,17H,12-14H2,1-3H3,(H,25,29)/t15-,17-/m1/s1
InChIKeyGWOAQSDJCXGQAQ-NVXWUHKLSA-N
XLogP2.91
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.49
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[(4,6-dimethylpyrimidin-2-yl)amino]-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylbutanamide
CID 51584425
1-(2-methoxyphenyl)-4-[1-(2-methylbutyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 3786381
(2S)-2-(2-fluorophenoxy)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]propanamide
CID 51583799
(4R)-1-(2-methoxyphenyl)-4-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 40773736
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 95134783
(4S)-1-(2-methoxyphenyl)-4-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 25301041
(3S)-1-(2-methoxyphenyl)-5-oxo-N-(1-propylbenzimidazol-2-yl)pyrrolidine-3-carboxamide
CID 25349789
N-[(3S)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylfuran-2-carboxamide
CID 95217188
N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 126446149
N-[1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-(2-methyl-6-oxo-1-pyridinyl)propanamide
CID 118762016
(4R)-1-(2-methoxyphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 40512734
1-(2-methoxyphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 3707339

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide?
The IUPAC name of (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide (CID 51587523) is (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide.
What is the SMILES notation for (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide?
The canonical SMILES for (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide is COc1ccccc1N1C[C@H](NC(=O)[C@H](C)Cn2c(C)nc3ccccc32)CC1=O.
What is the InChIKey of (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide?
The InChIKey is GWOAQSDJCXGQAQ-NVXWUHKLSA-N. The full InChI is InChI=1S/C23H26N4O3/c1-15(13-26-16(2)24-18-8-4-5-9-19(18)26)23(29)25-17-12-22(28)27(14-17)20-10-6-7-11-21(20)30-3/h4-11,15,17H,12-14H2,1-3H3,(H,25,29)/t15-,17-/m1/s1.
What are the key properties of (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide?
(2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide has a molecular weight of 406.49 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(3R)-1-(2-methoxyphenyl)-5-oxopyrrolidin-3-yl]-2-methyl-3-(2-methylbenzimidazol-1-yl)propanamide is sourced from PubChem (CID 51587523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).