propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate

C23H25N3O3 — CID 17004109

IUPACpropan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
SMILESCc1cccc(N2CC(c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)c1
InChIInChI=1S/C23H25N3O3/c1-15(2)29-22(28)14-26-20-10-5-4-9-19(20)24-23(26)17-12-21(27)25(13-17)18-8-6-7-16(3)11-18/h4-11,15,17H,12-14H2,1-3H3
InChIKeyBNDOBCYZLPBROF-UHFFFAOYSA-N
MW391.47 g/mol
LogP3.82
Rot. Bonds5

About propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate

propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate (PubChem CID 17004109) has the molecular formula C23H25N3O3 and a molecular weight of 391.47 g/mol. Its IUPAC name is propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
PubChem CID17004109
Molecular FormulaC23H25N3O3
Molecular Weight391.47 g/mol
Exact Mass391.19
IUPAC Namepropan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
SMILESCc1cccc(N2CC(c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)c1
InChIInChI=1S/C23H25N3O3/c1-15(2)29-22(28)14-26-20-10-5-4-9-19(20)24-23(26)17-12-21(27)25(13-17)18-8-6-7-16(3)11-18/h4-11,15,17H,12-14H2,1-3H3
InChIKeyBNDOBCYZLPBROF-UHFFFAOYSA-N
XLogP3.82
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.47
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]-N,N-bis(2-methylpropyl)acetamide
CID 42387120
1-(3-methylphenyl)-4-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]pyrrolidin-2-one
CID 4754427
N,N-diethyl-2-[2-[(3R)-1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetamide
CID 42387118
(4S)-4-(1-benzylbenzimidazol-2-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 40504936
ethyl 2-[2-[1-(3-bromophenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 17005883
(4S)-1-(3-methylphenyl)-4-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 7010817
ethyl 2-[2-[(3R)-1-(4-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate
CID 40773738
1-(3-methylphenyl)-4-[1-[4-(2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pyrrolidin-2-one
CID 17004077
(4R)-4-[1-[(2S)-3-(3,5-dimethylphenoxy)-2-hydroxypropyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 92902193
(4R)-4-[1-[(2R)-2-hydroxy-3-(3-methylphenoxy)propyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 27407351
(4R)-4-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 35179890
4-[1-[(4-bromophenyl)methyl]benzimidazol-2-yl]-1-(3-methylphenyl)pyrrolidin-2-one
CID 17004024

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate?
The IUPAC name of propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate (CID 17004109) is propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate.
What is the SMILES notation for propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate?
The canonical SMILES for propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate is Cc1cccc(N2CC(c3nc4ccccc4n3CC(=O)OC(C)C)CC2=O)c1.
What is the InChIKey of propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate?
The InChIKey is BNDOBCYZLPBROF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O3/c1-15(2)29-22(28)14-26-20-10-5-4-9-19(20)24-23(26)17-12-21(27)25(13-17)18-8-6-7-16(3)11-18/h4-11,15,17H,12-14H2,1-3H3.
What are the key properties of propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate?
propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate has a molecular weight of 391.47 g/mol, XLogP of 3.82, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-[1-(3-methylphenyl)-5-oxopyrrolidin-3-yl]benzimidazol-1-yl]acetate is sourced from PubChem (CID 17004109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).